trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol

C13H23NO — CID 104923298

IUPACtrans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1CC=CCC1
InChIInChI=1S/C13H23NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-2,11-15H,3-10H2/t11?,12-,13-/m1/s1
InChIKeyGMSUKELKMRJWFW-VFRRUGBOSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds3

About trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol (PubChem CID 104923298) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
PubChem CID104923298
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nametrans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCC1CC=CCC1
InChIInChI=1S/C13H23NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-2,11-15H,3-10H2/t11?,12-,13-/m1/s1
InChIKeyGMSUKELKMRJWFW-VFRRUGBOSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
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-(1R,2S)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]cyclohexan-1-ol
CID 124673828
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclopentylmethylamino)cyclopentan-1-ol
CID 93345953
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
trans-(1S,2S)-2-(cyclobutylmethylamino)cyclohexan-1-ol
CID 93346202
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103245487
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045797
2-[(4-methylcyclohexyl)methylamino]cyclohexan-1-ol
CID 63243394
N-(cyclohex-3-en-1-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544217

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol (CID 104923298) is trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCC1CC=CCC1.
What is the InChIKey of trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
The InChIKey is GMSUKELKMRJWFW-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-2,11-15H,3-10H2/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 104923298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).