1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol

C15H25NO — CID 65106975

IUPAC1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C15H25NO/c17-15(6-2-1-3-7-15)11-16-10-14-9-12-4-5-13(14)8-12/h4-5,12-14,16-17H,1-3,6-11H2
InChIKeyBROMKTCFZCHSQF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.48
Rot. Bonds4

About 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol

1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 65106975) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
PubChem CID65106975
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCC2CC3C=CC2C3)CCCCC1
InChIInChI=1S/C15H25NO/c17-15(6-2-1-3-7-15)11-16-10-14-9-12-4-5-13(14)8-12/h4-5,12-14,16-17H,1-3,6-11H2
InChIKeyBROMKTCFZCHSQF-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.48
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-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexyl]methanol
CID 112697777
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
CID 65211425
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide
CID 98220402

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol (CID 65106975) is 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCC2CC3C=CC2C3)CCCCC1.
What is the InChIKey of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is BROMKTCFZCHSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(6-2-1-3-7-15)11-16-10-14-9-12-4-5-13(14)8-12/h4-5,12-14,16-17H,1-3,6-11H2.
What are the key properties of 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol?
1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65106975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).