(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol

C11H23NO — CID 103884227

IUPAC(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-9(13)8-12-10-5-4-6-11(2,3)7-10/h9-10,12-13H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyFMUGCQRJGLQXFQ-YHMJZVADSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds3

About (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol

(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol (PubChem CID 103884227) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
PubChem CID103884227
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-9(13)8-12-10-5-4-6-11(2,3)7-10/h9-10,12-13H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyFMUGCQRJGLQXFQ-YHMJZVADSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 81422257
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253
3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 81422985
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol (CID 103884227) is (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol is C[C@@H](O)CNC1CCCC(C)(C)C1.
What is the InChIKey of (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is FMUGCQRJGLQXFQ-YHMJZVADSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(13)8-12-10-5-4-6-11(2,3)7-10/h9-10,12-13H,4-8H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol?
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103884227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).