(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine

C41H77N — CID 129018541

IUPAC(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCNCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,42H,3-10,15-16,21-41H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyNRFNTEAXUVKXTH-MAZCIEHSSA-N
MW584.07 g/mol
LogP14.15
Rot. Bonds35

About (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine

(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine (PubChem CID 129018541) has the molecular formula C41H77N and a molecular weight of 584.07 g/mol. Its IUPAC name is (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine.

Molecular Properties

Compound Name(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
PubChem CID129018541
Molecular FormulaC41H77N
Molecular Weight584.07 g/mol
Exact Mass583.61
IUPAC Name(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCNCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,42H,3-10,15-16,21-41H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyNRFNTEAXUVKXTH-MAZCIEHSSA-N
XLogP14.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.07
LogP ≤ 514.15
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'}

Analyze (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
3-[[(9Z,12Z)-octadeca-9,12-dienyl]amino]propan-1-ol
CID 134205305
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N'-[(9Z,12Z)-octadeca-9,12-dienyl]methanediamine
CID 139771496
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
N-methyloctadeca-9,12-dien-1-amine
CID 72503072
(Z)-N-propyltridec-4-en-1-amine
CID 174276526
2-(octadeca-9,12-dienylamino)acetic acid
CID 54420712

Frequently Asked Questions

What is the IUPAC name of (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine?
The IUPAC name of (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine (CID 129018541) is (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine.
What is the SMILES notation for (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine?
The canonical SMILES for (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCCCCNCCCCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine?
The InChIKey is NRFNTEAXUVKXTH-MAZCIEHSSA-N. The full InChI is InChI=1S/C41H77N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,42H,3-10,15-16,21-41H2,1-2H3/b13-11-,14-12-,19-17-,20-18-.
What are the key properties of (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine?
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine has a molecular weight of 584.07 g/mol, XLogP of 14.15, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine is sourced from PubChem (CID 129018541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).