(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine

C38H71N — CID 89212218

IUPAC(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
SMILESCCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C38H71N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h12-15,18-21H,4-11,16-17,22-38H2,1-3H3/b14-12-,15-13-,20-18-,21-19-
InChIKeyWQMMNERMIQUZDP-QYCRHRGJSA-N
MW541.99 g/mol
LogP12.94
Rot. Bonds31

About (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine

(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine (PubChem CID 89212218) has the molecular formula C38H71N and a molecular weight of 541.99 g/mol. Its IUPAC name is (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine.

Molecular Properties

Compound Name(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
PubChem CID89212218
Molecular FormulaC38H71N
Molecular Weight541.99 g/mol
Exact Mass541.56
IUPAC Name(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
SMILESCCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C38H71N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h12-15,18-21H,4-11,16-17,22-38H2,1-3H3/b14-12-,15-13-,20-18-,21-19-
InChIKeyWQMMNERMIQUZDP-QYCRHRGJSA-N
XLogP12.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.99
LogP ≤ 512.94
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 (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
3-[bis(icosa-11,14-dienyl)amino]propan-1-ol
CID 123864221
2-[[(9Z,12Z)-octadeca-9,12-dienyl]-octylamino]ethanol
CID 155275750
(9Z,12Z)-N-[2-[2-[bis[(9Z,12Z)-octadeca-9,12-dienyl]amino]ethyldisulfanyl]ethyl]-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 164813958
(9Z,12Z)-N-(2-methoxyethyl)-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 129293510
(E)-N,N-dipropylundec-8-en-1-amine
CID 22171945
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
heptadeca-5,8,11-triene
CID 54101473
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(5E,8E)-tetradeca-5,8-diene
CID 13430684
N,N-dipropylpropan-1-amine;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 173189074

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine?
The IUPAC name of (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine (CID 89212218) is (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine.
What is the SMILES notation for (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine?
The canonical SMILES for (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine is CCCC/C=C\C/C=C\CCCCCCCCN(CCC)CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine?
The InChIKey is WQMMNERMIQUZDP-QYCRHRGJSA-N. The full InChI is InChI=1S/C38H71N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-39(36-6-3)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h12-15,18-21H,4-11,16-17,22-38H2,1-3H3/b14-12-,15-13-,20-18-,21-19-.
What are the key properties of (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine?
(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine has a molecular weight of 541.99 g/mol, XLogP of 12.94, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine is sourced from PubChem (CID 89212218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).