trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol

C11H19NO — CID 102731668

IUPACtrans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h1-2,9-13H,3-8H2/t10-,11-/m1/s1
InChIKeyQRYPMGDIFNWBJO-GHMZBOCLSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds2

About trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol (PubChem CID 102731668) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
PubChem CID102731668
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nametrans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CC=CC1
InChIInChI=1S/C11H19NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h1-2,9-13H,3-8H2/t10-,11-/m1/s1
InChIKeyQRYPMGDIFNWBJO-GHMZBOCLSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
2-[(1,1-dioxothietan-3-yl)amino]cyclohexan-1-ol
CID 131160518
(3R,4R)-4-(cyclopent-3-en-1-ylamino)pyrrolidin-3-ol
CID 130678917
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
N-cyclopent-3-en-1-yl-2-methylsulfanylcyclohexan-1-amine
CID 127015746
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol (CID 102731668) is trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NC1CC=CC1.
What is the InChIKey of trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol?
The InChIKey is QRYPMGDIFNWBJO-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h1-2,9-13H,3-8H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).