N,N-dimethyloctadec-1-en-1-amine

C20H41N — CID 53401310

IUPACN,N-dimethyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN(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
InChIKeyHPKDERDMYRXMGT-UHFFFAOYSA-N
MW295.55 g/mol
LogP6.93
Rot. Bonds16

About N,N-dimethyloctadec-1-en-1-amine

N,N-dimethyloctadec-1-en-1-amine (PubChem CID 53401310) has the molecular formula C20H41N and a molecular weight of 295.55 g/mol. Its IUPAC name is N,N-dimethyloctadec-1-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyloctadec-1-en-1-amine
PubChem CID53401310
Molecular FormulaC20H41N
Molecular Weight295.55 g/mol
Exact Mass295.32
IUPAC NameN,N-dimethyloctadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CN(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
InChIKeyHPKDERDMYRXMGT-UHFFFAOYSA-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 N,N-dimethyloctadec-1-en-1-amine?
The IUPAC name of N,N-dimethyloctadec-1-en-1-amine (CID 53401310) is N,N-dimethyloctadec-1-en-1-amine.
What is the SMILES notation for N,N-dimethyloctadec-1-en-1-amine?
The canonical SMILES for N,N-dimethyloctadec-1-en-1-amine is CCCCCCCCCCCCCCCCC=CN(C)C.
What is the InChIKey of N,N-dimethyloctadec-1-en-1-amine?
The InChIKey is HPKDERDMYRXMGT-UHFFFAOYSA-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.
What are the key properties of N,N-dimethyloctadec-1-en-1-amine?
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 N,N-dimethyloctadec-1-en-1-amine is sourced from PubChem (CID 53401310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).