ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide

C17H41N3 — CID 145281180

IUPACethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide
SMILESC/N=C(\C)NN(C)CC(C)(C)CC(C)(C)C.CC.CC
InChIInChI=1S/C13H29N3.2C2H6/c1-11(14-7)15-16(8)10-13(5,6)9-12(2,3)4;2*1-2/h9-10H2,1-8H3,(H,14,15);2*1-2H3
InChIKeyKDEZRDGEYNPNRN-UHFFFAOYSA-N
MW287.54 g/mol
LogP4.99
Rot. Bonds4

About ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide

ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide (PubChem CID 145281180) has the molecular formula C17H41N3 and a molecular weight of 287.54 g/mol. Its IUPAC name is ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide
PubChem CID145281180
Molecular FormulaC17H41N3
Molecular Weight287.54 g/mol
Exact Mass287.33
IUPAC Nameethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide
SMILESC/N=C(\C)NN(C)CC(C)(C)CC(C)(C)C.CC.CC
InChIInChI=1S/C13H29N3.2C2H6/c1-11(14-7)15-16(8)10-13(5,6)9-12(2,3)4;2*1-2/h9-10H2,1-8H3,(H,14,15);2*1-2H3
InChIKeyKDEZRDGEYNPNRN-UHFFFAOYSA-N
XLogP4.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2,2,4,4-tetramethylpentyl)acetamide
CID 170423404
2,2,4,4,6,6-hexamethylheptane
CID 2795065
N-methyl-N-[2,2,4,4-tetramethyl-5-(methylamino)pentyl]hydroxylamine
CID 171565209
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
CID 59021791
N-(4,4-dimethylpentyl)-N'-methylethanimidamide
CID 59630968
N,N'-dimethylethanimidamide;ethane
CID 176553571
N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
CID 144764548
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338
3,3,5,5-tetramethyl-1-sulfanylhexan-1-ol
CID 88785461
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
CID 130434432
2,3,4,4,6,6,8,8-octamethylnon-2-ene
CID 58468529

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide?
The IUPAC name of ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide (CID 145281180) is ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide is C/N=C(\C)NN(C)CC(C)(C)CC(C)(C)C.CC.CC.
What is the InChIKey of ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide?
The InChIKey is KDEZRDGEYNPNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3.2C2H6/c1-11(14-7)15-16(8)10-13(5,6)9-12(2,3)4;2*1-2/h9-10H2,1-8H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide?
ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide has a molecular weight of 287.54 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-[methyl(2,2,4,4-tetramethylpentyl)amino]ethanimidamide is sourced from PubChem (CID 145281180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).