trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol

C12H23NO — CID 102732161

IUPACtrans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
SMILESCC1CC1CN(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-9-7-10(9)8-13(2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyNBUHJRWSAZVHJK-QQFIATSDSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds3

About trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol (PubChem CID 102732161) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
PubChem CID102732161
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
SMILESCC1CC1CN(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-9-7-10(9)8-13(2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1
InChIKeyNBUHJRWSAZVHJK-QQFIATSDSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclopentan-1-ol
CID 102734752
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]cyclohexan-1-ol
CID 102636948
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 102732058
trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
CID 104954571
2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 115773222
trans-(1R,2R)-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 104954609
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
2-[methyl-[2-(propylamino)ethyl]amino]cyclohexan-1-ol
CID 102636184

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol (CID 102732161) is trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol is CC1CC1CN(C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol?
The InChIKey is NBUHJRWSAZVHJK-QQFIATSDSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-10(9)8-13(2)11-5-3-4-6-12(11)14/h9-12,14H,3-8H2,1-2H3/t9?,10?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102732161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).