2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine

C20H44N2O — CID 176927912

IUPAC2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine
SMILESC=C1CCC(CC)NC1.CC(C)CC(C)CN(C)C.CC(C)O
InChIInChI=1S/C9H21N.C8H15N.C3H8O/c1-8(2)6-9(3)7-10(4)5;1-3-8-5-4-7(2)6-9-8;1-3(2)4/h8-9H,6-7H2,1-5H3;8-9H,2-6H2,1H3;3-4H,1-2H3
InChIKeyDDSQFDPCBPLKOR-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.32
Rot. Bonds5

About 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine

2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine (PubChem CID 176927912) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine
PubChem CID176927912
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine
SMILESC=C1CCC(CC)NC1.CC(C)CC(C)CN(C)C.CC(C)O
InChIInChI=1S/C9H21N.C8H15N.C3H8O/c1-8(2)6-9(3)7-10(4)5;1-3-8-5-4-7(2)6-9-8;1-3(2)4/h8-9H,6-7H2,1-5H3;8-9H,2-6H2,1H3;3-4H,1-2H3
InChIKeyDDSQFDPCBPLKOR-UHFFFAOYSA-N
XLogP4.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine with MolForge

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Related Compounds

(5S)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,4,6-trimethylhept-6-en-2-amine
CID 89073848
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2,6-trimethylhept-1-en-4-amine
CID 89153936
1-(7-Pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol
CID 176691659
(2S,4S,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11701078
(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11708092
2-Methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 73066849
4-Methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]pentan-3-ol
CID 112328066

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine?
The IUPAC name of 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine (CID 176927912) is 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine.
What is the SMILES notation for 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine?
The canonical SMILES for 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine is C=C1CCC(CC)NC1.CC(C)CC(C)CN(C)C.CC(C)O.
What is the InChIKey of 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine?
The InChIKey is DDSQFDPCBPLKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H15N.C3H8O/c1-8(2)6-9(3)7-10(4)5;1-3-8-5-4-7(2)6-9-8;1-3(2)4/h8-9H,6-7H2,1-5H3;8-9H,2-6H2,1H3;3-4H,1-2H3.
What are the key properties of 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine?
2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine has a molecular weight of 328.59 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylidenepiperidine;propan-2-ol;N,N,2,4-tetramethylpentan-1-amine is sourced from PubChem (CID 176927912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).