(12E,15E)-henicosa-12,15-dien-1-amine

C21H41N — CID 139349324

IUPAC(12E,15E)-henicosa-12,15-dien-1-amine
SMILESCCCCC/C=C/C/C=C/CCCCCCCCCCCN
InChIInChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6+,10-9+
InChIKeyBIEOZJJVNXLERV-AVQMFFATSA-N
MW307.57 g/mol
LogP6.93
Rot. Bonds17

About (12E,15E)-henicosa-12,15-dien-1-amine

(12E,15E)-henicosa-12,15-dien-1-amine (PubChem CID 139349324) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is (12E,15E)-henicosa-12,15-dien-1-amine.

Molecular Properties

Compound Name(12E,15E)-henicosa-12,15-dien-1-amine
PubChem CID139349324
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name(12E,15E)-henicosa-12,15-dien-1-amine
SMILESCCCCC/C=C/C/C=C/CCCCCCCCCCCN
InChIInChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6+,10-9+
InChIKeyBIEOZJJVNXLERV-AVQMFFATSA-N
XLogP6.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.93
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

(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
(Z)-triacont-9-en-1-amine
CID 139626552
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
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718

Frequently Asked Questions

What is the IUPAC name of (12E,15E)-henicosa-12,15-dien-1-amine?
The IUPAC name of (12E,15E)-henicosa-12,15-dien-1-amine (CID 139349324) is (12E,15E)-henicosa-12,15-dien-1-amine.
What is the SMILES notation for (12E,15E)-henicosa-12,15-dien-1-amine?
The canonical SMILES for (12E,15E)-henicosa-12,15-dien-1-amine is CCCCC/C=C/C/C=C/CCCCCCCCCCCN.
What is the InChIKey of (12E,15E)-henicosa-12,15-dien-1-amine?
The InChIKey is BIEOZJJVNXLERV-AVQMFFATSA-N. The full InChI is InChI=1S/C21H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h6-7,9-10H,2-5,8,11-22H2,1H3/b7-6+,10-9+.
What are the key properties of (12E,15E)-henicosa-12,15-dien-1-amine?
(12E,15E)-henicosa-12,15-dien-1-amine has a molecular weight of 307.57 g/mol, XLogP of 6.93, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12E,15E)-henicosa-12,15-dien-1-amine is sourced from PubChem (CID 139349324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).