3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide

C12H20N2O — CID 43777460

IUPAC3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
SMILESCC(NCCC(N)=O)C1CC2C=CC1C2
InChIInChI=1S/C12H20N2O/c1-8(14-5-4-12(13)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,14H,4-7H2,1H3,(H2,13,15)
InChIKeyGZVIYYYISHSEIC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.05
Rot. Bonds5

About 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide (PubChem CID 43777460) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
PubChem CID43777460
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
SMILESCC(NCCC(N)=O)C1CC2C=CC1C2
InChIInChI=1S/C12H20N2O/c1-8(14-5-4-12(13)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,14H,4-7H2,1H3,(H2,13,15)
InChIKeyGZVIYYYISHSEIC-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.05
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

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
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
CID 43777968
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
CID 114615642
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-ethyl-N-methylacetamide
CID 114132337
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43773819
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide (CID 43777460) is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide is CC(NCCC(N)=O)C1CC2C=CC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide?
The InChIKey is GZVIYYYISHSEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(14-5-4-12(13)15)11-7-9-2-3-10(11)6-9/h2-3,8-11,14H,4-7H2,1H3,(H2,13,15).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide?
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide has a molecular weight of 208.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide is sourced from PubChem (CID 43777460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).