(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol

C41H77NO — CID 153487300

IUPAC(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(O)(CCCCN)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H77NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(43,39-35-36-40-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-40,42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyZUCLUEKYKCMVIR-MAZCIEHSSA-N
MW600.07 g/mol
LogP13.25
Rot. Bonds34

About (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol

(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol (PubChem CID 153487300) has the molecular formula C41H77NO and a molecular weight of 600.07 g/mol. Its IUPAC name is (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol.

Molecular Properties

Compound Name(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol
PubChem CID153487300
Molecular FormulaC41H77NO
Molecular Weight600.07 g/mol
Exact Mass599.60
IUPAC Name(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(O)(CCCCN)CCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C41H77NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(43,39-35-36-40-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-40,42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-
InChIKeyZUCLUEKYKCMVIR-MAZCIEHSSA-N
XLogP13.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.07
LogP ≤ 513.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol with MolForge

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Related Compounds

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(Z)-hexacos-9-en-1-amine
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(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
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(Z)-triacont-9-en-1-amine
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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

Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol?
The IUPAC name of (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol (CID 153487300) is (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol.
What is the SMILES notation for (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol?
The canonical SMILES for (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol is CCCCC/C=C\C/C=C\CCCCCCCCC(O)(CCCCN)CCCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol?
The InChIKey is ZUCLUEKYKCMVIR-MAZCIEHSSA-N. The full InChI is InChI=1S/C41H77NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(43,39-35-36-40-42)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-40,42H2,1-2H3/b13-11-,14-12-,19-17-,20-18-.
What are the key properties of (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol?
(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol has a molecular weight of 600.07 g/mol, XLogP of 13.25, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol is sourced from PubChem (CID 153487300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).