N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine

C14H21N3 — CID 43791956

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCC1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(9-17-5-4-15-10-17)16-8-14-7-12-2-3-13(14)6-12/h2-5,10-14,16H,6-9H2,1H3
InChIKeySFBQOLSDXKESPG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.07
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine (PubChem CID 43791956) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine
PubChem CID43791956
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCC1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(9-17-5-4-15-10-17)16-8-14-7-12-2-3-13(14)6-12/h2-5,10-14,16H,6-9H2,1H3
InChIKeySFBQOLSDXKESPG-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43773819
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
CID 61482334
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylsulfanylbutan-2-amine
CID 115685695
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine (CID 43791956) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine?
The InChIKey is SFBQOLSDXKESPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(9-17-5-4-15-10-17)16-8-14-7-12-2-3-13(14)6-12/h2-5,10-14,16H,6-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43791956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).