(E)-N,N-dimethyloctadec-1-en-1-amine

C20H41N — CID 14389673

IUPAC(E)-N,N-dimethyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C/N(C)C
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h19-20H,4-18H2,1-3H3/b20-19+
InChIKeyHPKDERDMYRXMGT-FMQUCBEESA-N
MW295.55 g/mol
LogP6.93
Rot. Bonds16

About (E)-N,N-dimethyloctadec-1-en-1-amine

(E)-N,N-dimethyloctadec-1-en-1-amine (PubChem CID 14389673) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is (E)-N,N-dimethyloctadec-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyloctadec-1-en-1-amine
PubChem CID14389673
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC Name(E)-N,N-dimethyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C/N(C)C
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h19-20H,4-18H2,1-3H3/b20-19+
InChIKeyHPKDERDMYRXMGT-FMQUCBEESA-N
XLogP6.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.55
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyloctadec-1-en-1-amine?
The IUPAC name of (E)-N,N-dimethyloctadec-1-en-1-amine (CID 14389673) is (E)-N,N-dimethyloctadec-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyloctadec-1-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyloctadec-1-en-1-amine is CCCCCCCCCCCCCCCC/C=C/N(C)C.
What is the InChIKey of (E)-N,N-dimethyloctadec-1-en-1-amine?
The InChIKey is HPKDERDMYRXMGT-FMQUCBEESA-N. The full InChI is InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h19-20H,4-18H2,1-3H3/b20-19+.
What are the key properties of (E)-N,N-dimethyloctadec-1-en-1-amine?
(E)-N,N-dimethyloctadec-1-en-1-amine has a molecular weight of 295.55 g/mol, XLogP of 6.93, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyloctadec-1-en-1-amine is sourced from PubChem (CID 14389673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).