4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine

C12H23N — CID 143682286

IUPAC4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine
SMILESC/C=C(\C)CNC1CCC(C)CC1
InChIInChI=1S/C12H23N/c1-4-10(2)9-13-12-7-5-11(3)6-8-12/h4,11-13H,5-9H2,1-3H3/b10-4+
InChIKeyOPQBOUUYNOEHTR-ONNFQVAWSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds3

About 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine

4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine (PubChem CID 143682286) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine
PubChem CID143682286
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine
SMILESC/C=C(\C)CNC1CCC(C)CC1
InChIInChI=1S/C12H23N/c1-4-10(2)9-13-12-7-5-11(3)6-8-12/h4,11-13H,5-9H2,1-3H3/b10-4+
InChIKeyOPQBOUUYNOEHTR-ONNFQVAWSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine (CID 143682286) is 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine is C/C=C(\C)CNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine?
The InChIKey is OPQBOUUYNOEHTR-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(2)9-13-12-7-5-11(3)6-8-12/h4,11-13H,5-9H2,1-3H3/b10-4+.
What are the key properties of 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine?
4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine is sourced from PubChem (CID 143682286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).