(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine

C21H42N2O — CID 146644692

IUPAC(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine
SMILESC=C(C)/C=C\CC(C)C(CC)NCOC[C@@H](CC)N(CC)CCC
InChIInChI=1S/C21H42N2O/c1-8-15-23(11-4)20(9-2)16-24-17-22-21(10-3)19(7)14-12-13-18(5)6/h12-13,19-22H,5,8-11,14-17H2,1-4,6-7H3/b13-12-/t19?,20-,21?/m1/s1
InChIKeyCBVUSIRWTXSLTI-NYGPEUIISA-N
MW338.58 g/mol
LogP5.00
Rot. Bonds15

About (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine

(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine (PubChem CID 146644692) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine.

Molecular Properties

Compound Name(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine
PubChem CID146644692
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine
SMILESC=C(C)/C=C\CC(C)C(CC)NCOC[C@@H](CC)N(CC)CCC
InChIInChI=1S/C21H42N2O/c1-8-15-23(11-4)20(9-2)16-24-17-22-21(10-3)19(7)14-12-13-18(5)6/h12-13,19-22H,5,8-11,14-17H2,1-4,6-7H3/b13-12-/t19?,20-,21?/m1/s1
InChIKeyCBVUSIRWTXSLTI-NYGPEUIISA-N
XLogP5.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine?
The IUPAC name of (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine (CID 146644692) is (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine.
What is the SMILES notation for (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine?
The canonical SMILES for (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine is C=C(C)/C=C\CC(C)C(CC)NCOC[C@@H](CC)N(CC)CCC.
What is the InChIKey of (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine?
The InChIKey is CBVUSIRWTXSLTI-NYGPEUIISA-N. The full InChI is InChI=1S/C21H42N2O/c1-8-15-23(11-4)20(9-2)16-24-17-22-21(10-3)19(7)14-12-13-18(5)6/h12-13,19-22H,5,8-11,14-17H2,1-4,6-7H3/b13-12-/t19?,20-,21?/m1/s1.
What are the key properties of (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine?
(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine has a molecular weight of 338.58 g/mol, XLogP of 5.00, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine is sourced from PubChem (CID 146644692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).