N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine

C15H23N3 — CID 43773819

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)C1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-12(15-10-13-3-4-14(15)9-13)17-5-2-7-18-8-6-16-11-18/h3-4,6,8,11-15,17H,2,5,7,9-10H2,1H3
InChIKeyIPHDMFMWVZWFAK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 43773819) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID43773819
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC(NCCCn1ccnc1)C1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-12(15-10-13-3-4-14(15)9-13)17-5-2-7-18-8-6-16-11-18/h3-4,6,8,11-15,17H,2,5,7,9-10H2,1H3
InChIKeyIPHDMFMWVZWFAK-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 43791956
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-3-(3-imidazol-1-ylpropyl)thiourea
CID 11594284
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine (CID 43773819) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine is CC(NCCCn1ccnc1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is IPHDMFMWVZWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(15-10-13-3-4-14(15)9-13)17-5-2-7-18-8-6-16-11-18/h3-4,6,8,11-15,17H,2,5,7,9-10H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 43773819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).