(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride

C18H35ClN2 — CID 24787451

IUPAC(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride
SMILESCCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl
InChIInChI=1S/C18H34N2.ClH/c1-7-10-11-13-17(16-19-18(4,5)6)14-12-15-20(8-2)9-3;/h12,14-16H,7-11,13H2,1-6H3;1H/b15-12+,17-14+,19-16+;
InChIKeyDOYVHXZPDYEGLQ-ISNMXQCWSA-N
MW314.95 g/mol
LogP5.64
Rot. Bonds9

About (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride

(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride (PubChem CID 24787451) has the molecular formula C18H35ClN2 and a molecular weight of 314.95 g/mol. Its IUPAC name is (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride
PubChem CID24787451
Molecular FormulaC18H35ClN2
Molecular Weight314.95 g/mol
Exact Mass314.25
IUPAC Name(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride
SMILESCCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl
InChIInChI=1S/C18H34N2.ClH/c1-7-10-11-13-17(16-19-18(4,5)6)14-12-15-20(8-2)9-3;/h12,14-16H,7-11,13H2,1-6H3;1H/b15-12+,17-14+,19-16+;
InChIKeyDOYVHXZPDYEGLQ-ISNMXQCWSA-N
XLogP5.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.95
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride 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 (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride?
The IUPAC name of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride (CID 24787451) is (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride.
What is the SMILES notation for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride?
The canonical SMILES for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride is CCCCCC(/C=N/C(C)(C)C)=C\C=C\N(CC)CC.Cl.
What is the InChIKey of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride?
The InChIKey is DOYVHXZPDYEGLQ-ISNMXQCWSA-N. The full InChI is InChI=1S/C18H34N2.ClH/c1-7-10-11-13-17(16-19-18(4,5)6)14-12-15-20(8-2)9-3;/h12,14-16H,7-11,13H2,1-6H3;1H/b15-12+,17-14+,19-16+;.
What are the key properties of (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride?
(1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride has a molecular weight of 314.95 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-(tert-butyliminomethyl)-N,N-diethylnona-1,3-dien-1-amine;hydrochloride is sourced from PubChem (CID 24787451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).