1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine

C12H23N — CID 66046891

IUPAC1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
SMILESC=C(CC)CNC1(C)CCCCC1
InChIInChI=1S/C12H23N/c1-4-11(2)10-13-12(3)8-6-5-7-9-12/h13H,2,4-10H2,1,3H3
InChIKeyVANBACDJTTYMKY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds4

About 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine

1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine (PubChem CID 66046891) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
PubChem CID66046891
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
SMILESC=C(CC)CNC1(C)CCCCC1
InChIInChI=1S/C12H23N/c1-4-11(2)10-13-12(3)8-6-5-7-9-12/h13H,2,4-10H2,1,3H3
InChIKeyVANBACDJTTYMKY-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
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 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine (CID 66046891) is 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine is C=C(CC)CNC1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine?
The InChIKey is VANBACDJTTYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-11(2)10-13-12(3)8-6-5-7-9-12/h13H,2,4-10H2,1,3H3.
What are the key properties of 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine?
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine is sourced from PubChem (CID 66046891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).