(9Z,27Z)-hexatriaconta-9,27-dien-1-amine

C36H71N — CID 150821100

IUPAC(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C36H71N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h9-10,27-28H,2-8,11-26,29-37H2,1H3/b10-9-,28-27-
InChIKeyXNIZGSFMHLUUTN-KEOHPLJFSA-N
MW517.97 g/mol
LogP12.78
Rot. Bonds32

About (9Z,27Z)-hexatriaconta-9,27-dien-1-amine

(9Z,27Z)-hexatriaconta-9,27-dien-1-amine (PubChem CID 150821100) has the molecular formula C36H71N and a molecular weight of 517.97 g/mol. Its IUPAC name is (9Z,27Z)-hexatriaconta-9,27-dien-1-amine.

Molecular Properties

Compound Name(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
PubChem CID150821100
Molecular FormulaC36H71N
Molecular Weight517.97 g/mol
Exact Mass517.56
IUPAC Name(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C36H71N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h9-10,27-28H,2-8,11-26,29-37H2,1H3/b10-9-,28-27-
InChIKeyXNIZGSFMHLUUTN-KEOHPLJFSA-N
XLogP12.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.97
LogP ≤ 512.78
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

(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(Z)-tetradec-7-en-1-amine
CID 10680019
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
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718
hexadec-4-en-1-amine
CID 123939288
(12E,15E)-henicosa-12,15-dien-1-amine
CID 139349324
(9E,12E)-octadeca-9,12-dien-1-amine
CID 6504752

Frequently Asked Questions

What is the IUPAC name of (9Z,27Z)-hexatriaconta-9,27-dien-1-amine?
The IUPAC name of (9Z,27Z)-hexatriaconta-9,27-dien-1-amine (CID 150821100) is (9Z,27Z)-hexatriaconta-9,27-dien-1-amine.
What is the SMILES notation for (9Z,27Z)-hexatriaconta-9,27-dien-1-amine?
The canonical SMILES for (9Z,27Z)-hexatriaconta-9,27-dien-1-amine is CCCCCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (9Z,27Z)-hexatriaconta-9,27-dien-1-amine?
The InChIKey is XNIZGSFMHLUUTN-KEOHPLJFSA-N. The full InChI is InChI=1S/C36H71N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37/h9-10,27-28H,2-8,11-26,29-37H2,1H3/b10-9-,28-27-.
What are the key properties of (9Z,27Z)-hexatriaconta-9,27-dien-1-amine?
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine has a molecular weight of 517.97 g/mol, XLogP of 12.78, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,27Z)-hexatriaconta-9,27-dien-1-amine is sourced from PubChem (CID 150821100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).