(Z)-N-butyloctadec-9-en-1-amine

C22H45N — CID 88675160

IUPAC(Z)-N-butyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCC
InChIInChI=1S/C22H45N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-6-4-2/h12-13,23H,3-11,14-22H2,1-2H3/b13-12-
InChIKeyNDZAOLLUQQHTQF-SEYXRHQNSA-N
MW323.61 g/mol
LogP7.41
Rot. Bonds19

About (Z)-N-butyloctadec-9-en-1-amine

(Z)-N-butyloctadec-9-en-1-amine (PubChem CID 88675160) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is (Z)-N-butyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-butyloctadec-9-en-1-amine
PubChem CID88675160
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name(Z)-N-butyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCC
InChIInChI=1S/C22H45N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-6-4-2/h12-13,23H,3-11,14-22H2,1-2H3/b13-12-
InChIKeyNDZAOLLUQQHTQF-SEYXRHQNSA-N
XLogP7.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.41
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)-N-butyloctadec-9-en-1-amine?
The IUPAC name of (Z)-N-butyloctadec-9-en-1-amine (CID 88675160) is (Z)-N-butyloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-butyloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N-butyloctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCNCCCC.
What is the InChIKey of (Z)-N-butyloctadec-9-en-1-amine?
The InChIKey is NDZAOLLUQQHTQF-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H45N/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-6-4-2/h12-13,23H,3-11,14-22H2,1-2H3/b13-12-.
What are the key properties of (Z)-N-butyloctadec-9-en-1-amine?
(Z)-N-butyloctadec-9-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 7.41, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyloctadec-9-en-1-amine is sourced from PubChem (CID 88675160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).