heptatriaconta-6,28-dien-19-amine

C37H73N — CID 123539967

IUPACheptatriaconta-6,28-dien-19-amine
SMILESCCCCCC=CCCCCCCCCCCCC(N)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C37H73N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,18,20,37H,3-10,12,14-17,19,21-36,38H2,1-2H3
InChIKeyOQBFIANULXSACW-UHFFFAOYSA-N
MW532.00 g/mol
LogP13.17
Rot. Bonds32

About heptatriaconta-6,28-dien-19-amine

heptatriaconta-6,28-dien-19-amine (PubChem CID 123539967) has the molecular formula C37H73N and a molecular weight of 532.00 g/mol. Its IUPAC name is heptatriaconta-6,28-dien-19-amine.

Molecular Properties

Compound Nameheptatriaconta-6,28-dien-19-amine
PubChem CID123539967
Molecular FormulaC37H73N
Molecular Weight532.00 g/mol
Exact Mass531.57
IUPAC Nameheptatriaconta-6,28-dien-19-amine
SMILESCCCCCC=CCCCCCCCCCCCC(N)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C37H73N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,18,20,37H,3-10,12,14-17,19,21-36,38H2,1-2H3
InChIKeyOQBFIANULXSACW-UHFFFAOYSA-N
XLogP13.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.00
LogP ≤ 513.17
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

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(15E)-octadeca-15,17-dien-9-amine
CID 87547455
1-trimethoxysilylhenicos-12-en-4-amine
CID 91011586
(Z)-3-aminoicos-11-enethioamide
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octadecan-9-amine;hydrochloride
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(Z)-tricos-11-ene
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(Z)-heptacos-11-ene
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Frequently Asked Questions

What is the IUPAC name of heptatriaconta-6,28-dien-19-amine?
The IUPAC name of heptatriaconta-6,28-dien-19-amine (CID 123539967) is heptatriaconta-6,28-dien-19-amine.
What is the SMILES notation for heptatriaconta-6,28-dien-19-amine?
The canonical SMILES for heptatriaconta-6,28-dien-19-amine is CCCCCC=CCCCCCCCCCCCC(N)CCCCCCCCC=CCCCCCCCC.
What is the InChIKey of heptatriaconta-6,28-dien-19-amine?
The InChIKey is OQBFIANULXSACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,18,20,37H,3-10,12,14-17,19,21-36,38H2,1-2H3.
What are the key properties of heptatriaconta-6,28-dien-19-amine?
heptatriaconta-6,28-dien-19-amine has a molecular weight of 532.00 g/mol, XLogP of 13.17, 32 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptatriaconta-6,28-dien-19-amine is sourced from PubChem (CID 123539967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).