(Z)-N,N-dibutyloctadec-9-en-1-amine

C26H53N — CID 87753901

IUPAC(Z)-N,N-dibutyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(CCCC)CCCC
InChIInChI=1S/C26H53N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-26H2,1-3H3/b16-15-
InChIKeyIZOXWVSWRVVLFC-NXVVXOECSA-N
MW379.72 g/mol
LogP8.93
Rot. Bonds22

About (Z)-N,N-dibutyloctadec-9-en-1-amine

(Z)-N,N-dibutyloctadec-9-en-1-amine (PubChem CID 87753901) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is (Z)-N,N-dibutyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dibutyloctadec-9-en-1-amine
PubChem CID87753901
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name(Z)-N,N-dibutyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(CCCC)CCCC
InChIInChI=1S/C26H53N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-26H2,1-3H3/b16-15-
InChIKeyIZOXWVSWRVVLFC-NXVVXOECSA-N
XLogP8.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.93
H-Bond Donors ≤ 50
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)-N,N-dibutyloctadec-9-en-1-amine?
The IUPAC name of (Z)-N,N-dibutyloctadec-9-en-1-amine (CID 87753901) is (Z)-N,N-dibutyloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N,N-dibutyloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N,N-dibutyloctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN(CCCC)CCCC.
What is the InChIKey of (Z)-N,N-dibutyloctadec-9-en-1-amine?
The InChIKey is IZOXWVSWRVVLFC-NXVVXOECSA-N. The full InChI is InChI=1S/C26H53N/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-26H2,1-3H3/b16-15-.
What are the key properties of (Z)-N,N-dibutyloctadec-9-en-1-amine?
(Z)-N,N-dibutyloctadec-9-en-1-amine has a molecular weight of 379.72 g/mol, XLogP of 8.93, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyloctadec-9-en-1-amine is sourced from PubChem (CID 87753901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).