(Z)-9-octylhexacos-17-en-9-amine

C34H69N — CID 88623837

IUPAC(Z)-9-octylhexacos-17-en-9-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H69N/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(35,31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h19-20H,4-18,21-33,35H2,1-3H3/b20-19-
InChIKeyPKZMYROQZSZMDF-VXPUYCOJSA-N
MW491.93 g/mol
LogP12.22
Rot. Bonds29

About (Z)-9-octylhexacos-17-en-9-amine

(Z)-9-octylhexacos-17-en-9-amine (PubChem CID 88623837) has the molecular formula C34H69N and a molecular weight of 491.93 g/mol. Its IUPAC name is (Z)-9-octylhexacos-17-en-9-amine.

Molecular Properties

Compound Name(Z)-9-octylhexacos-17-en-9-amine
PubChem CID88623837
Molecular FormulaC34H69N
Molecular Weight491.93 g/mol
Exact Mass491.54
IUPAC Name(Z)-9-octylhexacos-17-en-9-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H69N/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(35,31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h19-20H,4-18,21-33,35H2,1-3H3/b20-19-
InChIKeyPKZMYROQZSZMDF-VXPUYCOJSA-N
XLogP12.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.93
LogP ≤ 512.22
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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Related Compounds

(Z)-17-hexadecyltetratriacont-25-en-17-amine
CID 87119990
3-amino-3-[(Z)-docos-13-enyl]pentane-1,5-diol
CID 88667452
11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
(7R)-18-amino-18-butyldocos-9-en-7-ol
CID 90750156

Frequently Asked Questions

What is the IUPAC name of (Z)-9-octylhexacos-17-en-9-amine?
The IUPAC name of (Z)-9-octylhexacos-17-en-9-amine (CID 88623837) is (Z)-9-octylhexacos-17-en-9-amine.
What is the SMILES notation for (Z)-9-octylhexacos-17-en-9-amine?
The canonical SMILES for (Z)-9-octylhexacos-17-en-9-amine is CCCCCCCC/C=C\CCCCCCCC(N)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of (Z)-9-octylhexacos-17-en-9-amine?
The InChIKey is PKZMYROQZSZMDF-VXPUYCOJSA-N. The full InChI is InChI=1S/C34H69N/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(35,31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h19-20H,4-18,21-33,35H2,1-3H3/b20-19-.
What are the key properties of (Z)-9-octylhexacos-17-en-9-amine?
(Z)-9-octylhexacos-17-en-9-amine has a molecular weight of 491.93 g/mol, XLogP of 12.22, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-octylhexacos-17-en-9-amine is sourced from PubChem (CID 88623837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).