2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine

C15H27N — CID 123612829

IUPAC2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(C2=CCC(C)CC2)CNC1C
InChIInChI=1S/C15H27N/c1-11(2)9-15(10-16-13(15)4)14-7-5-12(3)6-8-14/h7,11-13,16H,5-6,8-10H2,1-4H3
InChIKeyCLHYKJCUGVICEY-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds3

About 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine

2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine (PubChem CID 123612829) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine
PubChem CID123612829
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine
SMILESCC(C)CC1(C2=CCC(C)CC2)CNC1C
InChIInChI=1S/C15H27N/c1-11(2)9-15(10-16-13(15)4)14-7-5-12(3)6-8-14/h7,11-13,16H,5-6,8-10H2,1-4H3
InChIKeyCLHYKJCUGVICEY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine?
The IUPAC name of 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine (CID 123612829) is 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine?
The canonical SMILES for 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine is CC(C)CC1(C2=CCC(C)CC2)CNC1C.
What is the InChIKey of 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine?
The InChIKey is CLHYKJCUGVICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)9-15(10-16-13(15)4)14-7-5-12(3)6-8-14/h7,11-13,16H,5-6,8-10H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine?
2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine has a molecular weight of 221.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylcyclohexen-1-yl)-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 123612829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).