(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol

C12H25NO — CID 11816477

IUPAC(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol
SMILESC[C@H](CN(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3/t10-,12+/m1/s1
InChIKeyBBHCGFUXQQXCII-PWSUYJOCSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds4

About (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol

(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 11816477) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol
PubChem CID11816477
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol
SMILESC[C@H](CN(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3/t10-,12+/m1/s1
InChIKeyBBHCGFUXQQXCII-PWSUYJOCSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((Dimethylamino)methyl)cyclohexanol
CID 368214
[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium iodide
CID 118719148
[(1S,3R)-3-hydroxycyclohexyl]methyl-trimethylazanium iodide
CID 118719150
(2S)-1-[(3S)-1-methylpiperidin-3-yl]nonadecan-2-ol
CID 162650173
rac-[(1R,2S)-2-(dimethylamino)cyclohexyl]methanol
CID 138039890
rac-((1R,2R)-2-(dimethylamino)cyclohexyl)methanol
CID 138040143
(2-Hydroxycyclohexyl)methyl-trimethylazanium iodide
CID 368215
2-(Piperidin-1-ylmethyl)cyclohexan-1-ol
CID 201698
[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium iodide
CID 364020
cis-(1R,2S)-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 1542462
rel-(1R,2R)-2-((Dimethylamino)methyl)cyclohexanol
CID 1542464
Cyclohexanemethanol, 1-[(dimethylamino)methyl]-
CID 10797269

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol (CID 11816477) is (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol is C[C@H](CN(C)C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is BBHCGFUXQQXCII-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11/h10-12,14H,4-9H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol?
(1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-cyclohexyl-3-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 11816477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).