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

C11H23NO — CID 96710709

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

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

(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol (PubChem CID 96710709) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
PubChem CID96710709
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@H]1CCCC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-9(8-13)12-10-5-4-6-11(2,3)7-10/h9-10,12-13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyREBUJBSVXILLOY-ZJUUUORDSA-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

Analyze (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol with MolForge

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Related Compounds

2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
2-[[(5-Amino-1,3,3-trimethylcyclohexyl)methyl]amino]ethanol
CID 3017677
2-[(3,3,5-Trimethylcyclohexyl)amino]ethanol
CID 278951
1-(Cyclohexylamino)-3,3-dimethylbutan-2-ol
CID 12263165
1-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propan-2-ol
CID 3017678
1-[[[5-[(2-Hydroxypropyl)amino]-1,3,3-trimethylcyclohexyl]methyl]amino]propan-2-OL
CID 3020474
3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 64394080
2-[[3-(Trifluoromethyl)cyclohexyl]amino]propan-1-ol
CID 64759205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol (CID 96710709) is (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol is C[C@H](CO)N[C@H]1CCCC(C)(C)C1.
What is the InChIKey of (2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol?
The InChIKey is REBUJBSVXILLOY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(8-13)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)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol?
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-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)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 96710709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).