(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol

C11H23NO — CID 96732492

IUPAC(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
SMILESC[C@@H]1CC[C@H](NC[C@@H](C)O)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-8-4-5-11(6-9(8)2)12-7-10(3)13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChIKeyIAHCTXWYPROTJT-YTWAJWBKSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds3

About (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol

(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol (PubChem CID 96732492) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
PubChem CID96732492
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
SMILESC[C@@H]1CC[C@H](NC[C@@H](C)O)C[C@@H]1C
InChIInChI=1S/C11H23NO/c1-8-4-5-11(6-9(8)2)12-7-10(3)13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1
InChIKeyIAHCTXWYPROTJT-YTWAJWBKSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
1-(diethylamino)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64743461
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64742863
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-[(3-cyclopropylcyclohexyl)amino]propan-2-ol
CID 64593899
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
3-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-1-ol
CID 97030264
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol (CID 96732492) is (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol is C[C@@H]1CC[C@H](NC[C@@H](C)O)C[C@@H]1C.
What is the InChIKey of (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol?
The InChIKey is IAHCTXWYPROTJT-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-4-5-11(6-9(8)2)12-7-10(3)13/h8-13H,4-7H2,1-3H3/t8-,9+,10-,11+/m1/s1.
What are the key properties of (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol?
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 96732492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).