trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol

C14H27NO — CID 102732058

IUPACtrans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCCCC1N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H27NO/c1-11-7-3-4-8-12(11)15(2)13-9-5-6-10-14(13)16/h11-14,16H,3-10H2,1-2H3/t11?,12?,13-,14-/m1/s1
InChIKeyJDKPKTRWLCWFBJ-NWINJMCUSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds2

About trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 102732058) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID102732058
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nametrans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCCCC1N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H27NO/c1-11-7-3-4-8-12(11)15(2)13-9-5-6-10-14(13)16/h11-14,16H,3-10H2,1-2H3/t11?,12?,13-,14-/m1/s1
InChIKeyJDKPKTRWLCWFBJ-NWINJMCUSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
CID 60714732
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 114762511
trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
CID 93317461
2-[methyl-(4-methylcyclohexyl)amino]cyclopentan-1-ol
CID 60711910
2-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 63073672
2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
CID 66185277
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
2-[methyl-(2-methylcyclohexyl)amino]cyclohexane-1-carbonitrile
CID 55004832
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol (CID 102732058) is trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol is CC1CCCCC1N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is JDKPKTRWLCWFBJ-NWINJMCUSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-7-3-4-8-12(11)15(2)13-9-5-6-10-14(13)16/h11-14,16H,3-10H2,1-2H3/t11?,12?,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102732058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).