(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine

C23H45N — CID 56944147

IUPAC(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCC)N(C)C
InChIInChI=1S/C23H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(21-6-2)24(3)4/h10-11,13-14,23H,5-9,12,15-22H2,1-4H3/b11-10-,14-13-
InChIKeyDFLGHUGIWAYXFV-XVTLYKPTSA-N
MW335.62 g/mol
LogP7.53
Rot. Bonds17

About (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine

(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine (PubChem CID 56944147) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine.

Molecular Properties

Compound Name(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
PubChem CID56944147
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCC)N(C)C
InChIInChI=1S/C23H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(21-6-2)24(3)4/h10-11,13-14,23H,5-9,12,15-22H2,1-4H3/b11-10-,14-13-
InChIKeyDFLGHUGIWAYXFV-XVTLYKPTSA-N
XLogP7.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.53
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'}

Analyze (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(25Z)-N,N-dimethylhentriaconta-22,25-dien-10-amine
CID 175715549
(18E,21E)-N,N-dimethylheptacosa-18,21-dien-10-amine
CID 87170077
N,N-dimethyltetracos-17-en-9-amine
CID 123150200
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
CID 56944347
(2S)-N,N-dimethyl-1-octadeca-9,12-dienoxydodecan-2-amine
CID 123185025
(2S)-N,N-dimethyl-1-octadeca-9,12-dienoxydecan-2-amine
CID 123232356
(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230

Frequently Asked Questions

What is the IUPAC name of (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine?
The IUPAC name of (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine (CID 56944147) is (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine.
What is the SMILES notation for (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine?
The canonical SMILES for (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine is CCCCC/C=C\C/C=C\CCCCCCCC(CCC)N(C)C.
What is the InChIKey of (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine?
The InChIKey is DFLGHUGIWAYXFV-XVTLYKPTSA-N. The full InChI is InChI=1S/C23H45N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(21-6-2)24(3)4/h10-11,13-14,23H,5-9,12,15-22H2,1-4H3/b11-10-,14-13-.
What are the key properties of (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine?
(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine has a molecular weight of 335.62 g/mol, XLogP of 7.53, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine is sourced from PubChem (CID 56944147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).