trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol

C14H25NO — CID 102731189

IUPACtrans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h6,13-16H,1-5,7-11H2/t13-,14-/m1/s1
InChIKeyYPWZFQIOVSOZIX-ZIAGYGMSSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds4

About trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol (PubChem CID 102731189) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol
PubChem CID102731189
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nametrans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h6,13-16H,1-5,7-11H2/t13-,14-/m1/s1
InChIKeyYPWZFQIOVSOZIX-ZIAGYGMSSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
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,2S,3Z)-2-(hexylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24798788
cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
CID 24936307
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-tetradecylidenecyclohexan-1-ol
CID 44446331
4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol
CID 39755788
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
6-(Cyclopropen-1-ylmethyl)piperidin-3-ol
CID 91348641
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
2-(2-Ethenylpenta-2,4-dienylamino)cyclohexan-1-ol
CID 123427462
(1R,3E)-3-ethylidene-2-(methylamino)-4-prop-1-enylidenecyclohexan-1-ol
CID 141824510
2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-3-ol
CID 156749674
(4Z)-8-(ethylamino)cyclooct-4-en-1-ol
CID 12379046

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol (CID 102731189) is trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCCC1=CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is YPWZFQIOVSOZIX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h6,13-16H,1-5,7-11H2/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(cyclohexen-1-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).