(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol

C12H25NO — CID 103884021

IUPAC(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(NC[C@H](C)O)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9-5-11(13-8-10(2)14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeyDCFQQLDFIVRPPI-YVNMAJEFSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol

(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol (PubChem CID 103884021) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
PubChem CID103884021
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(NC[C@H](C)O)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9-5-11(13-8-10(2)14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1
InChIKeyDCFQQLDFIVRPPI-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

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Related Compounds

4-methyl-1-[(3,3,5-trimethylcyclohexyl)amino]pentan-2-ol
CID 103698837
4-methyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]pentanoic acid
CID 122127730
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
(2S)-2-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082560
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548
2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 43499568
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol (CID 103884021) is (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol is CC1CC(NC[C@H](C)O)CC(C)(C)C1.
What is the InChIKey of (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is DCFQQLDFIVRPPI-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-5-11(13-8-10(2)14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol?
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-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)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103884021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).