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

C26H53N — CID 139899136

IUPAC(Z)-hexacos-9-en-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C26H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h17-18H,2-16,19-27H2,1H3/b18-17-
InChIKeyPURWEKPTTWNBEY-ZCXUNETKSA-N
MW379.72 g/mol
LogP9.10
Rot. Bonds23

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

(Z)-hexacos-9-en-1-amine (PubChem CID 139899136) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is (Z)-hexacos-9-en-1-amine.

Molecular Properties

Compound Name(Z)-hexacos-9-en-1-amine
PubChem CID139899136
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name(Z)-hexacos-9-en-1-amine
SMILESCCCCCCCCCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C26H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h17-18H,2-16,19-27H2,1H3/b18-17-
InChIKeyPURWEKPTTWNBEY-ZCXUNETKSA-N
XLogP9.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 59.10
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)-triacont-9-en-1-amine
CID 139626552
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718
hexadec-4-en-1-amine
CID 123939288
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752

Frequently Asked Questions

What is the IUPAC name of (Z)-hexacos-9-en-1-amine?
The IUPAC name of (Z)-hexacos-9-en-1-amine (CID 139899136) is (Z)-hexacos-9-en-1-amine.
What is the SMILES notation for (Z)-hexacos-9-en-1-amine?
The canonical SMILES for (Z)-hexacos-9-en-1-amine is CCCCCCCCCCCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-hexacos-9-en-1-amine?
The InChIKey is PURWEKPTTWNBEY-ZCXUNETKSA-N. The full InChI is InChI=1S/C26H53N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h17-18H,2-16,19-27H2,1H3/b18-17-.
What are the key properties of (Z)-hexacos-9-en-1-amine?
(Z)-hexacos-9-en-1-amine has a molecular weight of 379.72 g/mol, XLogP of 9.10, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexacos-9-en-1-amine is sourced from PubChem (CID 139899136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).