2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide

C198H407N13O19 — CID 160647769

IUPAC2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCCC(=O)C(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CCC(C)C.CC(C)CCCC(=O)N(C)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCC(=O)NC(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)CCC(C)C
InChIInChI=1S/C12H24O.5C11H23NO.4C11H22O.5C10H21NO.C10H20O.2C9H19NO.C9H17NO/c1-10(2)6-5-7-12(13)9-8-11(3)4;2*1-9(2)6-7-12(5)11(13)8-10(3)4;1-9(2)7-6-8-11(13)12(5)10(3)4;1-9(2)5-6-11(13)12-8-7-10(3)4;1-9(2)7-5-6-8-11(13)12-10(3)4;3*1-9(2)6-5-7-11(12)8-10(3)4;1-9(2)7-5-6-8-11(12)10(3)4;1-8(2)6-7-11(5)10(12)9(3)4;3*1-8(2)5-6-10(12)11-7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-8(2)6-5-7-10(11)9(3)4;1-7(2)5-6-10-9(11)8(3)4;2*1-7(2)5-6-9(11)10-8(3)4/h10-11H,5-9H2,1-4H3;3*9-10H,6-8H2,1-5H3;2*9-10H,5-8H2,1-4H3,(H,12,13);4*9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4*8-9H,5-7H2,1-4H3,(H,11,12);8-9H,5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3,(H,10,11);5-8H,1-4H3,(H,10,11)/b;;;;;;;;;;;;;;;;;;6-5+
InChIKeyRJZZMMGTLAKIHY-WUDYZHEVSA-N
MW3274.51 g/mol
LogP50.03
Rot. Bonds98

About 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide

2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide (PubChem CID 160647769) has the molecular formula C198H407N13O19 and a molecular weight of 3274.51 g/mol. Its IUPAC name is 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide
PubChem CID160647769
Molecular FormulaC198H407N13O19
Molecular Weight3274.51 g/mol
Exact Mass3272.13
IUPAC Name2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide
SMILESCC(C)/C=C/C(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCCC(=O)C(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CCC(C)C.CC(C)CCCC(=O)N(C)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCC(=O)NC(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)CCC(C)C
InChIInChI=1S/C12H24O.5C11H23NO.4C11H22O.5C10H21NO.C10H20O.2C9H19NO.C9H17NO/c1-10(2)6-5-7-12(13)9-8-11(3)4;2*1-9(2)6-7-12(5)11(13)8-10(3)4;1-9(2)7-6-8-11(13)12(5)10(3)4;1-9(2)5-6-11(13)12-8-7-10(3)4;1-9(2)7-5-6-8-11(13)12-10(3)4;3*1-9(2)6-5-7-11(12)8-10(3)4;1-9(2)7-5-6-8-11(12)10(3)4;1-8(2)6-7-11(5)10(12)9(3)4;3*1-8(2)5-6-10(12)11-7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-8(2)6-5-7-10(11)9(3)4;1-7(2)5-6-10-9(11)8(3)4;2*1-7(2)5-6-9(11)10-8(3)4/h10-11H,5-9H2,1-4H3;3*9-10H,6-8H2,1-5H3;2*9-10H,5-8H2,1-4H3,(H,12,13);4*9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4*8-9H,5-7H2,1-4H3,(H,11,12);8-9H,5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3,(H,10,11);5-8H,1-4H3,(H,10,11)/b;;;;;;;;;;;;;;;;;;6-5+
InChIKeyRJZZMMGTLAKIHY-WUDYZHEVSA-N
XLogP50.03
TPSA445.56 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds98
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003274.51
LogP ≤ 550.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide?
The IUPAC name of 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide (CID 160647769) is 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide.
What is the SMILES notation for 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide?
The canonical SMILES for 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide is CC(C)/C=C/C(=O)NC(C)C.CC(C)CCC(=O)NC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCC(=O)NCC(C)C.CC(C)CCCC(=O)C(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CC(C)C.CC(C)CCCC(=O)CCC(C)C.CC(C)CCCC(=O)N(C)C(C)C.CC(C)CCCCC(=O)C(C)C.CC(C)CCCCC(=O)NC(C)C.CC(C)CCCNC(=O)C(C)C.CC(C)CCN(C)C(=O)C(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)CCC(C)C.
What is the InChIKey of 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide?
The InChIKey is RJZZMMGTLAKIHY-WUDYZHEVSA-N. The full InChI is InChI=1S/C12H24O.5C11H23NO.4C11H22O.5C10H21NO.C10H20O.2C9H19NO.C9H17NO/c1-10(2)6-5-7-12(13)9-8-11(3)4;2*1-9(2)6-7-12(5)11(13)8-10(3)4;1-9(2)7-6-8-11(13)12(5)10(3)4;1-9(2)5-6-11(13)12-8-7-10(3)4;1-9(2)7-5-6-8-11(13)12-10(3)4;3*1-9(2)6-5-7-11(12)8-10(3)4;1-9(2)7-5-6-8-11(12)10(3)4;1-8(2)6-7-11(5)10(12)9(3)4;3*1-8(2)5-6-10(12)11-7-9(3)4;1-8(2)6-5-7-11-10(12)9(3)4;1-8(2)6-5-7-10(11)9(3)4;1-7(2)5-6-10-9(11)8(3)4;2*1-7(2)5-6-9(11)10-8(3)4/h10-11H,5-9H2,1-4H3;3*9-10H,6-8H2,1-5H3;2*9-10H,5-8H2,1-4H3,(H,12,13);4*9-10H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;4*8-9H,5-7H2,1-4H3,(H,11,12);8-9H,5-7H2,1-4H3;2*7-8H,5-6H2,1-4H3,(H,10,11);5-8H,1-4H3,(H,10,11)/b;;;;;;;;;;;;;;;;;;6-5+.
What are the key properties of 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide?
2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide has a molecular weight of 3274.51 g/mol, XLogP of 50.03, 98 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecan-5-one;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);N,2-dimethyl-N-(3-methylbutyl)propanamide;2,8-dimethylnonan-3-one;tris(2,8-dimethylnonan-4-one);2,7-dimethyloctan-3-one;N,5-dimethyl-N-propan-2-ylhexanamide;4-methyl-N-(3-methylbutyl)pentanamide;2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(4-methylpentyl)propanamide;tris(4-methyl-N-(2-methylpropyl)pentanamide);6-methyl-N-propan-2-ylheptanamide;4-methyl-N-propan-2-ylpentanamide;(E)-4-methyl-N-propan-2-ylpent-2-enamide is sourced from PubChem (CID 160647769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).