(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol

C12H25NO — CID 103789174

IUPAC(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
SMILESCC1CC(C)(C)CCC1N[C@@H](C)CO
InChIInChI=1S/C12H25NO/c1-9-7-12(3,4)6-5-11(9)13-10(2)8-14/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeySWZGJTRZTKSSQE-YVNMAJEFSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol

(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol (PubChem CID 103789174) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
PubChem CID103789174
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol
SMILESCC1CC(C)(C)CCC1N[C@@H](C)CO
InChIInChI=1S/C12H25NO/c1-9-7-12(3,4)6-5-11(9)13-10(2)8-14/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeySWZGJTRZTKSSQE-YVNMAJEFSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol with MolForge

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751169
2-[(2,4,4-trimethylcyclohexyl)amino]propanoic acid
CID 81321434
3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
CID 115723127
N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320624
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
2,4,4-trimethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103787845
N-[1-(4-ethylphenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320860
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide
CID 119819051
3-amino-N-(2,4,4-trimethylcyclohexyl)butanamide;hydrochloride
CID 119819050
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol (CID 103789174) is (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol is CC1CC(C)(C)CCC1N[C@@H](C)CO.
What is the InChIKey of (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol?
The InChIKey is SWZGJTRZTKSSQE-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-7-12(3,4)6-5-11(9)13-10(2)8-14/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol?
(2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4,4-trimethylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 103789174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).