2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol

C13H25NO2 — CID 102731599

IUPAC2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
SMILESOC1CCCCCC1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H25NO2/c15-12-8-3-1-2-6-10(12)14-11-7-4-5-9-13(11)16/h10-16H,1-9H2/t10?,11-,12?,13-/m0/s1
InChIKeyKCZXBQKPQNROOV-MVKMKZAISA-N
MW227.35 g/mol
LogP1.57
Rot. Bonds2

About 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol

2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol (PubChem CID 102731599) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
PubChem CID102731599
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
SMILESOC1CCCCCC1N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H25NO2/c15-12-8-3-1-2-6-10(12)14-11-7-4-5-9-13(11)16/h10-16H,1-9H2/t10?,11-,12?,13-/m0/s1
InChIKeyKCZXBQKPQNROOV-MVKMKZAISA-N
XLogP1.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
2-[[2-(hydroxymethyl)cyclohexyl]amino]cycloheptan-1-ol
CID 106361103
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
CID 62088396
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
CID 106361174
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
(3S,4R)-4-[[(1R,2R)-2-hydroxycyclopentyl]amino]oxolan-3-ol
CID 122236870

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol (CID 102731599) is 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol is OC1CCCCCC1N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol?
The InChIKey is KCZXBQKPQNROOV-MVKMKZAISA-N. The full InChI is InChI=1S/C13H25NO2/c15-12-8-3-1-2-6-10(12)14-11-7-4-5-9-13(11)16/h10-16H,1-9H2/t10?,11-,12?,13-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol?
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 102731599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).