3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol

C12H23NO2 — CID 106132527

IUPAC3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CN[C@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C12H23NO2/c14-10-4-1-3-9(7-10)8-13-11-5-2-6-12(11)15/h9-15H,1-8H2/t9?,10?,11-,12-/m0/s1
InChIKeyJPNZGNRPLQRIPI-QQFIATSDSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds3

About 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol

3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol (PubChem CID 106132527) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
PubChem CID106132527
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CN[C@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C12H23NO2/c14-10-4-1-3-9(7-10)8-13-11-5-2-6-12(11)15/h9-15H,1-8H2/t9?,10?,11-,12-/m0/s1
InChIKeyJPNZGNRPLQRIPI-QQFIATSDSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 106124528
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 103914206
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]cyclohexan-1-ol
CID 114146600
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751
trans-(1R,2R)-2-[(2-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 102734052

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol (CID 106132527) is 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CN[C@H]2CCC[C@@H]2O)C1.
What is the InChIKey of 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is JPNZGNRPLQRIPI-QQFIATSDSA-N. The full InChI is InChI=1S/C12H23NO2/c14-10-4-1-3-9(7-10)8-13-11-5-2-6-12(11)15/h9-15H,1-8H2/t9?,10?,11-,12-/m0/s1.
What are the key properties of 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol?
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).