2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol

C13H23NO — CID 107907075

IUPAC2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1C=CCCC1
InChIInChI=1S/C13H23NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h2,7,11-15H,1,3-6,8-10H2
InChIKeyFIIJDIXEGYXOBL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds3

About 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol

2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol (PubChem CID 107907075) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
PubChem CID107907075
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1C=CCCC1
InChIInChI=1S/C13H23NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h2,7,11-15H,1,3-6,8-10H2
InChIKeyFIIJDIXEGYXOBL-UHFFFAOYSA-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

1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-Hydroxyethyl-2-azaspiro-[5.5]-undec-7-ene
CID 20403159
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
[(4-Aminocyclohexa-2,4-dien-1-yl)amino]-cyclohexylmethanol
CID 70892518
(S)-[(4-aminocyclohexa-2,4-dien-1-yl)amino]-cyclohexylmethanol
CID 70974362
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743
2-[(E)-2-(5-methylpiperidin-2-yl)ethenyl]-5-[(E)-prop-1-enyl]cyclohexane-1,4-diol
CID 140463054
1-Methyl-6-(propylamino)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol
CID 141916261
1-[6-(Methylamino)cyclohex-3-en-1-yl]ethanol
CID 143631192
[6-(Cyclohexylamino)cyclohex-3-en-1-yl]methanol
CID 13950937
(2S,3S,4R,6S)-2,3-dimethyl-6-[(E)-prop-1-enyl]piperidin-4-ol
CID 15507370

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol (CID 107907075) is 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNC1C=CCCC1.
What is the InChIKey of 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is FIIJDIXEGYXOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h2,7,11-15H,1,3-6,8-10H2.
What are the key properties of 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
2-[(cyclohex-2-en-1-ylamino)methyl]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 2-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107907075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).