(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol

C13H23N3O — CID 164635126

IUPAC(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
SMILESC[C@@](CO)(NCc1ncc[nH]1)C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-13(10-17,11-5-3-2-4-6-11)16-9-12-14-7-8-15-12/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,14,15)/t13-/m0/s1
InChIKeyCNPFKQOUMSSDQQ-ZDUSSCGKSA-N
MW237.35 g/mol
LogP1.83
Rot. Bonds5

About (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol

(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol (PubChem CID 164635126) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
PubChem CID164635126
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
SMILESC[C@@](CO)(NCc1ncc[nH]1)C1CCCCC1
InChIInChI=1S/C13H23N3O/c1-13(10-17,11-5-3-2-4-6-11)16-9-12-14-7-8-15-12/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,14,15)/t13-/m0/s1
InChIKeyCNPFKQOUMSSDQQ-ZDUSSCGKSA-N
XLogP1.83
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

12-Imidazolyl-1-dodecanol
CID 25269122
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3-methylcyclohexyl]methanol
CID 62552690
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylcyclohexyl]methanol
CID 62553353
[2-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexyl]methanol
CID 65902422
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3,3,5-trimethylcyclohexyl]methanol
CID 111440270
[3,3,5-Trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 111440276
[1-(1H-imidazol-2-ylmethyl)-3-isobutylpiperidin-3-yl]methanol
CID 50957180
1H-Imidazole-2-methanol, alpha-heptadecyl-
CID 566962
Cyclobutanol, 1-(1H-imidazol-2-yl)-2-tetradecyl-
CID 573716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The IUPAC name of (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol (CID 164635126) is (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol is C[C@@](CO)(NCc1ncc[nH]1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
The InChIKey is CNPFKQOUMSSDQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(10-17,11-5-3-2-4-6-11)16-9-12-14-7-8-15-12/h7-8,11,16-17H,2-6,9-10H2,1H3,(H,14,15)/t13-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol?
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 164635126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).