trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol

C13H25NO — CID 102731253

IUPACtrans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@H]2CCCC[C@@H]2O)CCCC1
InChIInChI=1S/C13H25NO/c1-13(8-4-5-9-13)10-14-11-6-2-3-7-12(11)15/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyUCWDESDRIIKHKM-RYUDHWBXSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds3

About trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol (PubChem CID 102731253) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
PubChem CID102731253
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nametrans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@H]2CCCC[C@@H]2O)CCCC1
InChIInChI=1S/C13H25NO/c1-13(8-4-5-9-13)10-14-11-6-2-3-7-12(11)15/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKeyUCWDESDRIIKHKM-RYUDHWBXSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
2-tert-butyl-N-[(1-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 55261404
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
CID 102733880
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
CID 114094873
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol (CID 102731253) is trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol is CC1(CN[C@H]2CCCC[C@@H]2O)CCCC1.
What is the InChIKey of trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol?
The InChIKey is UCWDESDRIIKHKM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(8-4-5-9-13)10-14-11-6-2-3-7-12(11)15/h11-12,14-15H,2-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).