(Z)-18,18-dibutyldocos-9-en-1-amine

C30H61N — CID 169038477

IUPAC(Z)-18,18-dibutyldocos-9-en-1-amine
SMILESCCCCC(CCCC)(CCCC)CCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C30H61N/c1-4-7-25-30(26-8-5-2,27-9-6-3)28-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-29-31/h10-11H,4-9,12-29,31H2,1-3H3/b11-10-
InChIKeyQPLFVNQPODQAOB-KHPPLWFESA-N
MW435.83 g/mol
LogP10.52
Rot. Bonds25

About (Z)-18,18-dibutyldocos-9-en-1-amine

(Z)-18,18-dibutyldocos-9-en-1-amine (PubChem CID 169038477) has the molecular formula C30H61N and a molecular weight of 435.83 g/mol. Its IUPAC name is (Z)-18,18-dibutyldocos-9-en-1-amine.

Molecular Properties

Compound Name(Z)-18,18-dibutyldocos-9-en-1-amine
PubChem CID169038477
Molecular FormulaC30H61N
Molecular Weight435.83 g/mol
Exact Mass435.48
IUPAC Name(Z)-18,18-dibutyldocos-9-en-1-amine
SMILESCCCCC(CCCC)(CCCC)CCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C30H61N/c1-4-7-25-30(26-8-5-2,27-9-6-3)28-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-29-31/h10-11H,4-9,12-29,31H2,1-3H3/b11-10-
InChIKeyQPLFVNQPODQAOB-KHPPLWFESA-N
XLogP10.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.83
LogP ≤ 510.52
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
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(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
2-(aminomethyl)-2-[(Z)-heptadec-8-enyl]propane-1,3-diamine
CID 87409752
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
(6Z,9Z,28Z,31Z)-19-(4-aminobutyl)heptatriaconta-6,9,28,31-tetraen-19-ol
CID 153487300
(Z)-octadec-9-en-1-amine;zinc;hydrochloride
CID 130429718

Frequently Asked Questions

What is the IUPAC name of (Z)-18,18-dibutyldocos-9-en-1-amine?
The IUPAC name of (Z)-18,18-dibutyldocos-9-en-1-amine (CID 169038477) is (Z)-18,18-dibutyldocos-9-en-1-amine.
What is the SMILES notation for (Z)-18,18-dibutyldocos-9-en-1-amine?
The canonical SMILES for (Z)-18,18-dibutyldocos-9-en-1-amine is CCCCC(CCCC)(CCCC)CCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-18,18-dibutyldocos-9-en-1-amine?
The InChIKey is QPLFVNQPODQAOB-KHPPLWFESA-N. The full InChI is InChI=1S/C30H61N/c1-4-7-25-30(26-8-5-2,27-9-6-3)28-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-29-31/h10-11H,4-9,12-29,31H2,1-3H3/b11-10-.
What are the key properties of (Z)-18,18-dibutyldocos-9-en-1-amine?
(Z)-18,18-dibutyldocos-9-en-1-amine has a molecular weight of 435.83 g/mol, XLogP of 10.52, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18,18-dibutyldocos-9-en-1-amine is sourced from PubChem (CID 169038477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).