2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide

C14H22N2O — CID 43777968

IUPAC2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)C1CC2C=CC1C2
InChIInChI=1S/C14H22N2O/c1-9(13-7-10-2-3-11(13)6-10)15-8-14(17)16-12-4-5-12/h2-3,9-13,15H,4-8H2,1H3,(H,16,17)
InChIKeyDNAMMPIVVFNWNB-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide (PubChem CID 43777968) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
PubChem CID43777968
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
SMILESCC(NCC(=O)NC1CC1)C1CC2C=CC1C2
InChIInChI=1S/C14H22N2O/c1-9(13-7-10-2-3-11(13)6-10)15-8-14(17)16-12-4-5-12/h2-3,9-13,15H,4-8H2,1H3,(H,16,17)
InChIKeyDNAMMPIVVFNWNB-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.46
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

tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
CID 43179826
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide (CID 43777968) is 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide is CC(NCC(=O)NC1CC1)C1CC2C=CC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide?
The InChIKey is DNAMMPIVVFNWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(13-7-10-2-3-11(13)6-10)15-8-14(17)16-12-4-5-12/h2-3,9-13,15H,4-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide?
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43777968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).