trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol

C13H25NO2 — CID 94469672

IUPACtrans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
SMILESCC1CCC(CO)(N[C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C13H25NO2/c1-10-5-7-13(9-15,8-6-10)14-11-3-2-4-12(11)16/h10-12,14-16H,2-9H2,1H3/t10?,11-,12-,13?/m1/s1
InChIKeyJWHCBFDINJYDSV-QZQSVVMZSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds3

About trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol

trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol (PubChem CID 94469672) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
PubChem CID94469672
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametrans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
SMILESCC1CCC(CO)(N[C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C13H25NO2/c1-10-5-7-13(9-15,8-6-10)14-11-3-2-4-12(11)16/h10-12,14-16H,2-9H2,1H3/t10?,11-,12-,13?/m1/s1
InChIKeyJWHCBFDINJYDSV-QZQSVVMZSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclohexane-1-carbonitrile
CID 62743346
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclobutane-1-carboxylic acid
CID 103248769
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
CID 64753014
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
CID 62553193
trans-(1S,2S)-2-[(1-methylcyclopropyl)amino]cyclopentan-1-ol
CID 102734108
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855
[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
CID 81419348
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol (CID 94469672) is trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol is CC1CCC(CO)(N[C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol?
The InChIKey is JWHCBFDINJYDSV-QZQSVVMZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-5-7-13(9-15,8-6-10)14-11-3-2-4-12(11)16/h10-12,14-16H,2-9H2,1H3/t10?,11-,12-,13?/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 94469672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).