trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol

C14H27NO — CID 102734871

IUPACtrans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
SMILESCN(C1CCC(C)(C)CC1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H27NO/c1-14(2)9-7-11(8-10-14)15(3)12-5-4-6-13(12)16/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyIBXAVMUIMRCGHQ-STQMWFEESA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds2

About trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol (PubChem CID 102734871) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
PubChem CID102734871
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nametrans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol
SMILESCN(C1CCC(C)(C)CC1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H27NO/c1-14(2)9-7-11(8-10-14)15(3)12-5-4-6-13(12)16/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyIBXAVMUIMRCGHQ-STQMWFEESA-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

trans-(1S,2S)-2-[cyclohexyl(methyl)amino]cyclohexan-1-ol
CID 93317461
trans-(1R,2R)-2-[cyclopropyl(methyl)amino]cyclohexan-1-ol
CID 102731882
2-[methyl-(4-methylcyclohexyl)amino]cyclopentan-1-ol
CID 60711910
2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
CID 60714732
2-[azetidin-3-yl(methyl)amino]cyclopentan-1-ol
CID 66184796
2-[methyl-(3-methylcyclohexyl)amino]cyclopentan-1-ol
CID 61446890
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
2-[azetidin-3-yl(methyl)amino]cyclohexan-1-ol
CID 66185277
2-[(3-aminocyclohexyl)-methylamino]cyclohexan-1-ol
CID 102640048
6-[cyclohexyl(methyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79834390
2-[methyl(thiolan-3-yl)amino]cyclohexan-1-ol
CID 60883837
2-[methyl-(3-methylsulfonylcyclohexyl)amino]cyclohexan-1-ol
CID 102636517

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol (CID 102734871) is trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol is CN(C1CCC(C)(C)CC1)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol?
The InChIKey is IBXAVMUIMRCGHQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)9-7-11(8-10-14)15(3)12-5-4-6-13(12)16/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-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-(1S,2S)-2-[(4,4-dimethylcyclohexyl)-methylamino]cyclopentan-1-ol is sourced from PubChem (CID 102734871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).