1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol

C16H27NO — CID 65115904

IUPAC1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CC3CC=CC32)CC1
InChIInChI=1S/C16H27NO/c1-2-12-6-8-16(18,9-7-12)11-17-15-10-13-4-3-5-14(13)15/h3,5,12-15,17-18H,2,4,6-11H2,1H3
InChIKeyZJIYKZHHSGFQDU-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.87
Rot. Bonds4

About 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65115904) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65115904
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CC3CC=CC32)CC1
InChIInChI=1S/C16H27NO/c1-2-12-6-8-16(18,9-7-12)11-17-15-10-13-4-3-5-14(13)15/h3,5,12-15,17-18H,2,4,6-11H2,1H3
InChIKeyZJIYKZHHSGFQDU-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol (CID 65115904) is 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNC2CC3CC=CC32)CC1.
What is the InChIKey of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is ZJIYKZHHSGFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-12-6-8-16(18,9-7-12)11-17-15-10-13-4-3-5-14(13)15/h3,5,12-15,17-18H,2,4,6-11H2,1H3.
What are the key properties of 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65115904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).