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

C14H27NO — CID 102731420

IUPACtrans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCCCC1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H27NO/c1-14(2)10-6-5-9-13(14)15-11-7-3-4-8-12(11)16/h11-13,15-16H,3-10H2,1-2H3/t11-,12-,13?/m1/s1
InChIKeyGLCBUYWEKROTFK-ZNRZSNADSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds2

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

trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 102731420) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID102731420
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nametrans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1(C)CCCCC1N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H27NO/c1-14(2)10-6-5-9-13(14)15-11-7-3-4-8-12(11)16/h11-13,15-16H,3-10H2,1-2H3/t11-,12-,13?/m1/s1
InChIKeyGLCBUYWEKROTFK-ZNRZSNADSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
trans-(1R,2R)-2-[(2,2-dimethylthietan-3-yl)amino]cyclopentan-1-ol
CID 122237200
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634164
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
N-[2-(aminomethyl)cyclopentyl]-2,2-dimethylcyclohexan-1-amine
CID 79861508
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
N-(2,2-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 79860878
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
2-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79836296
2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
CID 65083758

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol (CID 102731420) is trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol is CC1(C)CCCCC1N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is GLCBUYWEKROTFK-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)10-6-5-9-13(14)15-11-7-3-4-8-12(11)16/h11-13,15-16H,3-10H2,1-2H3/t11-,12-,13?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).