(5S)-5-methylcyclohexen-1-amine

C7H13N — CID 163541060

IUPAC(5S)-5-methylcyclohexen-1-amine
SMILESC[C@H]1CCC=C(N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h4,6H,2-3,5,8H2,1H3/t6-/m0/s1
InChIKeyFBCZQWMLHHKZCF-LURJTMIESA-N
MW111.19 g/mol
LogP1.65
Rot. Bonds

About (5S)-5-methylcyclohexen-1-amine

(5S)-5-methylcyclohexen-1-amine (PubChem CID 163541060) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (5S)-5-methylcyclohexen-1-amine.

Molecular Properties

Compound Name(5S)-5-methylcyclohexen-1-amine
PubChem CID163541060
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(5S)-5-methylcyclohexen-1-amine
SMILESC[C@H]1CCC=C(N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h4,6H,2-3,5,8H2,1H3/t6-/m0/s1
InChIKeyFBCZQWMLHHKZCF-LURJTMIESA-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 (5S)-5-methylcyclohexen-1-amine?
The IUPAC name of (5S)-5-methylcyclohexen-1-amine (CID 163541060) is (5S)-5-methylcyclohexen-1-amine.
What is the SMILES notation for (5S)-5-methylcyclohexen-1-amine?
The canonical SMILES for (5S)-5-methylcyclohexen-1-amine is C[C@H]1CCC=C(N)C1.
What is the InChIKey of (5S)-5-methylcyclohexen-1-amine?
The InChIKey is FBCZQWMLHHKZCF-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h4,6H,2-3,5,8H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-methylcyclohexen-1-amine?
(5S)-5-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 (5S)-5-methylcyclohexen-1-amine is sourced from PubChem (CID 163541060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).