(3S)-3-methylcyclohexan-1-amine

C7H15N — CID 55284906

IUPAC(3S)-3-methylcyclohexan-1-amine
SMILESC[C@H]1CCCC(N)C1
InChIInChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyJYDYHSHPBDZRPU-PKPIPKONSA-N
MW113.20 g/mol
LogP1.52
Rot. Bonds

About (3S)-3-methylcyclohexan-1-amine

(3S)-3-methylcyclohexan-1-amine (PubChem CID 55284906) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3S)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(3S)-3-methylcyclohexan-1-amine
PubChem CID55284906
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3S)-3-methylcyclohexan-1-amine
SMILESC[C@H]1CCCC(N)C1
InChIInChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyJYDYHSHPBDZRPU-PKPIPKONSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3-methylcyclopentan-1-amine
CID 58346799
(1R)-1,3-dimethylcyclohexane
CID 12594306
5-methylcyclododecan-1-amine
CID 138488786
CID 175388606
CID 175388606
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
(3-methylcyclohexyl)methanamine
CID 18361468
ethane;3-ethylcyclohexan-1-amine
CID 164855900
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
CID 162144552
1-N-methyl-1-N-(3-methylcyclohexyl)cyclobutane-1,3-diamine
CID 80561761
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclooctane;methylcyclobutane
CID 159456217

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylcyclohexan-1-amine?
The IUPAC name of (3S)-3-methylcyclohexan-1-amine (CID 55284906) is (3S)-3-methylcyclohexan-1-amine.
What is the SMILES notation for (3S)-3-methylcyclohexan-1-amine?
The canonical SMILES for (3S)-3-methylcyclohexan-1-amine is C[C@H]1CCCC(N)C1.
What is the InChIKey of (3S)-3-methylcyclohexan-1-amine?
The InChIKey is JYDYHSHPBDZRPU-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1.
What are the key properties of (3S)-3-methylcyclohexan-1-amine?
(3S)-3-methylcyclohexan-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 55284906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).