3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine

C16H29N — CID 90769610

IUPAC3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
SMILESCCCC1CCCC/C=N\CC1=CC(C)CC
InChIInChI=1S/C16H29N/c1-4-9-15-10-7-6-8-11-17-13-16(15)12-14(3)5-2/h11-12,14-15H,4-10,13H2,1-3H3/b16-12?,17-11-
InChIKeyLFJSTCUJLXGMKR-DBZPOCDUSA-N
MW235.41 g/mol
LogP5.02
Rot. Bonds4

About 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine

3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine (PubChem CID 90769610) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine.

Molecular Properties

Compound Name3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
PubChem CID90769610
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
SMILESCCCC1CCCC/C=N\CC1=CC(C)CC
InChIInChI=1S/C16H29N/c1-4-9-15-10-7-6-8-11-17-13-16(15)12-14(3)5-2/h11-12,14-15H,4-10,13H2,1-3H3/b16-12?,17-11-
InChIKeyLFJSTCUJLXGMKR-DBZPOCDUSA-N
XLogP5.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
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CID 70894676
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
(5R)-5-[(Z)-6-ethyl-3,3,9-trimethyldec-5-enyl]-5,6,7,7a-tetrahydro-3H-indole
CID 89973111
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
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2-(3-Ethyl-4,5-dimethylcyclohexen-1-yl)-2,5-dihydropyridine
CID 91334885
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CID 91514795

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine?
The IUPAC name of 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine (CID 90769610) is 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine.
What is the SMILES notation for 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine?
The canonical SMILES for 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine is CCCC1CCCC/C=N\CC1=CC(C)CC.
What is the InChIKey of 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine?
The InChIKey is LFJSTCUJLXGMKR-DBZPOCDUSA-N. The full InChI is InChI=1S/C16H29N/c1-4-9-15-10-7-6-8-11-17-13-16(15)12-14(3)5-2/h11-12,14-15H,4-10,13H2,1-3H3/b16-12?,17-11-.
What are the key properties of 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine?
3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine has a molecular weight of 235.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine is sourced from PubChem (CID 90769610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).