2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol

C13H26N2O — CID 96555182

IUPAC2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol
SMILESCN(C)[C@@H]1CCCC[C@H]1N(CCO)C1CC1
InChIInChI=1S/C13H26N2O/c1-14(2)12-5-3-4-6-13(12)15(9-10-16)11-7-8-11/h11-13,16H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeySQUWYBOMJCWVLV-CHWSQXEVSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds5

About 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol

2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol (PubChem CID 96555182) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol
PubChem CID96555182
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol
SMILESCN(C)[C@@H]1CCCC[C@H]1N(CCO)C1CC1
InChIInChI=1S/C13H26N2O/c1-14(2)12-5-3-4-6-13(12)15(9-10-16)11-7-8-11/h11-13,16H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeySQUWYBOMJCWVLV-CHWSQXEVSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)cycloheptyl]-cyclopentylamino]ethanol
CID 54993333
2-[cyclobutyl(2-hydroxyethyl)amino]cyclopentane-1-carbonitrile
CID 102862438
2-[cyclobutyl-[4-(methylamino)cyclohexyl]amino]ethanol
CID 102875894
2-[(4-aminocyclohexyl)-cyclopropylamino]ethanol
CID 79467685
2-[cyclopropyl(thian-4-yl)amino]ethanol
CID 121203663
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010
2-[cyclopentyl(2-hydroxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 54993404
2-[cyclobutyl-(3-methylcyclohexyl)amino]ethanol
CID 102870175
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
2-[cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)amino]ethanol
CID 114623867
2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
CID 63472104

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol (CID 96555182) is 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol is CN(C)[C@@H]1CCCC[C@H]1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol?
The InChIKey is SQUWYBOMJCWVLV-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14(2)12-5-3-4-6-13(12)15(9-10-16)11-7-8-11/h11-13,16H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol?
2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]ethanol is sourced from PubChem (CID 96555182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).