(Z)-hexadec-9-en-1-amine

C16H33N — CID 20841374

IUPAC(Z)-hexadec-9-en-1-amine
SMILESCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8H,2-6,9-17H2,1H3/b8-7-
InChIKeyUATFHWVUSDADRL-FPLPWBNLSA-N
MW239.45 g/mol
LogP5.20
Rot. Bonds13

About (Z)-hexadec-9-en-1-amine

(Z)-hexadec-9-en-1-amine (PubChem CID 20841374) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (Z)-hexadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-hexadec-9-en-1-amine
PubChem CID20841374
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(Z)-hexadec-9-en-1-amine
SMILESCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8H,2-6,9-17H2,1H3/b8-7-
InChIKeyUATFHWVUSDADRL-FPLPWBNLSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-en-1-amine?
The IUPAC name of (Z)-hexadec-9-en-1-amine (CID 20841374) is (Z)-hexadec-9-en-1-amine.
What is the SMILES notation for (Z)-hexadec-9-en-1-amine?
The canonical SMILES for (Z)-hexadec-9-en-1-amine is CCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-hexadec-9-en-1-amine?
The InChIKey is UATFHWVUSDADRL-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8H,2-6,9-17H2,1H3/b8-7-.
What are the key properties of (Z)-hexadec-9-en-1-amine?
(Z)-hexadec-9-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-en-1-amine is sourced from PubChem (CID 20841374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).