N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine

C14H23NO — CID 102610282

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C14H23NO/c1-2-16-14-7-13(8-14)15-9-12-6-10-3-4-11(12)5-10/h3-4,10-15H,2,5-9H2,1H3
InChIKeyLYGKYAITIAIYIX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.36
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine (PubChem CID 102610282) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
PubChem CID102610282
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCC2CC3C=CC2C3)C1
InChIInChI=1S/C14H23NO/c1-2-16-14-7-13(8-14)15-9-12-6-10-3-4-11(12)5-10/h3-4,10-15H,2,5-9H2,1H3
InChIKeyLYGKYAITIAIYIX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
CID 43778399
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
CID 124527653
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentan-1-ol
CID 112553163
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791725
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethoxybutan-1-amine
CID 115685518
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-tert-butylpiperidin-4-amine
CID 54866698
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine (CID 102610282) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine is CCOC1CC(NCC2CC3C=CC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine?
The InChIKey is LYGKYAITIAIYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-16-14-7-13(8-14)15-9-12-6-10-3-4-11(12)5-10/h3-4,10-15H,2,5-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 102610282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).