3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine

C12H21N — CID 134219459

IUPAC3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCCC1
InChIInChI=1S/C12H21N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9H,5-8H2,1-4H3/b13-11+
InChIKeyRUQLXKNSYUUBPM-ACCUITESSA-N
MW179.31 g/mol
LogP3.95
Rot. Bonds2

About 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine

3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine (PubChem CID 134219459) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine
PubChem CID134219459
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CCCC1
InChIInChI=1S/C12H21N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9H,5-8H2,1-4H3/b13-11+
InChIKeyRUQLXKNSYUUBPM-ACCUITESSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine?
The IUPAC name of 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine (CID 134219459) is 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine is CC1=C(/N=C(\C)C(C)C)CCCC1.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine?
The InChIKey is RUQLXKNSYUUBPM-ACCUITESSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)11(4)13-12-8-6-5-7-10(12)3/h9H,5-8H2,1-4H3/b13-11+.
What are the key properties of 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine?
3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexen-1-yl)butan-2-imine is sourced from PubChem (CID 134219459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).