4-methylcyclohexen-1-amine

C7H13N — CID 45116676

IUPAC4-methylcyclohexen-1-amine
SMILESCC1CC=C(N)CC1
InChIInChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5,8H2,1H3
InChIKeyJFNCRLYQBHZFEE-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.65
Rot. Bonds

About 4-methylcyclohexen-1-amine

4-methylcyclohexen-1-amine (PubChem CID 45116676) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methylcyclohexen-1-amine.

Molecular Properties

Compound Name4-methylcyclohexen-1-amine
PubChem CID45116676
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-methylcyclohexen-1-amine
SMILESCC1CC=C(N)CC1
InChIInChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5,8H2,1H3
InChIKeyJFNCRLYQBHZFEE-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexen-1-amine?
The IUPAC name of 4-methylcyclohexen-1-amine (CID 45116676) is 4-methylcyclohexen-1-amine.
What is the SMILES notation for 4-methylcyclohexen-1-amine?
The canonical SMILES for 4-methylcyclohexen-1-amine is CC1CC=C(N)CC1.
What is the InChIKey of 4-methylcyclohexen-1-amine?
The InChIKey is JFNCRLYQBHZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5,8H2,1H3.
What are the key properties of 4-methylcyclohexen-1-amine?
4-methylcyclohexen-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexen-1-amine is sourced from PubChem (CID 45116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).