1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol

C15H25NO — CID 65107627

IUPAC1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-11(14-9-12-4-5-13(14)8-12)16-10-15(17)6-2-3-7-15/h4-5,11-14,16-17H,2-3,6-10H2,1H3
InChIKeyIQPGKPBOOVICKB-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.48
Rot. Bonds4

About 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65107627) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65107627
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H25NO/c1-11(14-9-12-4-5-13(14)8-12)16-10-15(17)6-2-3-7-15/h4-5,11-14,16-17H,2-3,6-10H2,1H3
InChIKeyIQPGKPBOOVICKB-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

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
CID 43777460
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
1-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]cyclohexan-1-ol
CID 65106975
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861344
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol (CID 65107627) is 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is IQPGKPBOOVICKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(14-9-12-4-5-13(14)8-12)16-10-15(17)6-2-3-7-15/h4-5,11-14,16-17H,2-3,6-10H2,1H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-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-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65107627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).