(2S)-1-(4-methylcyclohexyl)propan-2-amine

C10H21N — CID 163792436

IUPAC(2S)-1-(4-methylcyclohexyl)propan-2-amine
SMILESCC1CCC(C[C@H](C)N)CC1
InChIInChI=1S/C10H21N/c1-8-3-5-10(6-4-8)7-9(2)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyMXYIFSDFEJOQMN-KYHHOPLUSA-N
MW155.28 g/mol
LogP2.55
Rot. Bonds2

About (2S)-1-(4-methylcyclohexyl)propan-2-amine

(2S)-1-(4-methylcyclohexyl)propan-2-amine (PubChem CID 163792436) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-1-(4-methylcyclohexyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylcyclohexyl)propan-2-amine
PubChem CID163792436
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-1-(4-methylcyclohexyl)propan-2-amine
SMILESCC1CCC(C[C@H](C)N)CC1
InChIInChI=1S/C10H21N/c1-8-3-5-10(6-4-8)7-9(2)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyMXYIFSDFEJOQMN-KYHHOPLUSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-(3,5-dimethylcyclohexyl)propan-2-amine
CID 70312991
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
CID 84737021
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
CID 123783398
1-(1-oxothian-4-yl)propan-2-amine
CID 142227478
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine
CID 126984889

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylcyclohexyl)propan-2-amine?
The IUPAC name of (2S)-1-(4-methylcyclohexyl)propan-2-amine (CID 163792436) is (2S)-1-(4-methylcyclohexyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylcyclohexyl)propan-2-amine?
The canonical SMILES for (2S)-1-(4-methylcyclohexyl)propan-2-amine is CC1CCC(C[C@H](C)N)CC1.
What is the InChIKey of (2S)-1-(4-methylcyclohexyl)propan-2-amine?
The InChIKey is MXYIFSDFEJOQMN-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H21N/c1-8-3-5-10(6-4-8)7-9(2)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-1-(4-methylcyclohexyl)propan-2-amine?
(2S)-1-(4-methylcyclohexyl)propan-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylcyclohexyl)propan-2-amine is sourced from PubChem (CID 163792436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).