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

C13H23NO — CID 107907104

IUPAC1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNC2C=CCCC2)CCCCC1
InChIInChI=1S/C13H23NO/c15-13(9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h3,7,12,14-15H,1-2,4-6,8-11H2
InChIKeyZSOWVYMQZUHXRM-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.38
Rot. Bonds3

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

1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol (PubChem CID 107907104) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
PubChem CID107907104
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNC2C=CCCC2)CCCCC1
InChIInChI=1S/C13H23NO/c15-13(9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h3,7,12,14-15H,1-2,4-6,8-11H2
InChIKeyZSOWVYMQZUHXRM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

4-fluoro-1-[(E,1S)-1-(iodosylmethylamino)but-2-enyl]cyclohexan-1-ol
CID 163521104
Hepta-1,6-dien-4-ol, 4-(1,2,5,6-tetrahydro-2,6-diallyl-2-pyridyl)-
CID 595787
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
6-Cyclohexyl-2-methyl-1,2,3,6-tetrahydropyridin-5-ol
CID 68094531
1-[[2-(7-methyl-3a,7a-dihydro-1H-indol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 70267764
6-Cyclohexyl-2-iodo-1,2,3,6-tetrahydropyridin-5-ol
CID 89022011
5-Butyl-6-(cyclohexylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 175444228
1-(3-Piperidin-1-ium-1-ylprop-1-enyl)cyclohexan-1-ol
CID 721237
1-[(E)-3-piperidin-1-ium-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721239
Di(piperidin-2-yl)-(1,2,3,6-tetrahydropyridin-2-yl)methanol
CID 5254859
4-[(2R,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-1-ium-6-yl]hepta-1,6-dien-4-ol
CID 7567324
4-[(2R,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-6-yl]hepta-1,6-dien-4-ol
CID 7567325

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol (CID 107907104) is 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol is OC1(CNC2C=CCCC2)CCCCC1.
What is the InChIKey of 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is ZSOWVYMQZUHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(9-5-2-6-10-13)11-14-12-7-3-1-4-8-12/h3,7,12,14-15H,1-2,4-6,8-11H2.
What are the key properties of 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol?
1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohex-2-en-1-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107907104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).