16-methylheptadec-1-en-1-amine

C18H37N — CID 170848344

IUPAC16-methylheptadec-1-en-1-amine
SMILESCC(C)CCCCCCCCCCCCCC=CN
InChIInChI=1S/C18H37N/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h15,17-18H,3-14,16,19H2,1-2H3
InChIKeyJIXAIFFRLSKIME-UHFFFAOYSA-N
MW267.50 g/mol
LogP6.19
Rot. Bonds14

About 16-methylheptadec-1-en-1-amine

16-methylheptadec-1-en-1-amine (PubChem CID 170848344) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 16-methylheptadec-1-en-1-amine.

Molecular Properties

Compound Name16-methylheptadec-1-en-1-amine
PubChem CID170848344
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name16-methylheptadec-1-en-1-amine
SMILESCC(C)CCCCCCCCCCCCCC=CN
InChIInChI=1S/C18H37N/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h15,17-18H,3-14,16,19H2,1-2H3
InChIKeyJIXAIFFRLSKIME-UHFFFAOYSA-N
XLogP6.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
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 16-methylheptadec-1-en-1-amine?
The IUPAC name of 16-methylheptadec-1-en-1-amine (CID 170848344) is 16-methylheptadec-1-en-1-amine.
What is the SMILES notation for 16-methylheptadec-1-en-1-amine?
The canonical SMILES for 16-methylheptadec-1-en-1-amine is CC(C)CCCCCCCCCCCCCC=CN.
What is the InChIKey of 16-methylheptadec-1-en-1-amine?
The InChIKey is JIXAIFFRLSKIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h15,17-18H,3-14,16,19H2,1-2H3.
What are the key properties of 16-methylheptadec-1-en-1-amine?
16-methylheptadec-1-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadec-1-en-1-amine is sourced from PubChem (CID 170848344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).