1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine

C14H23N3 — CID 106575467

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-2-3-6-15-14-16-7-8-17(14)13-10-11-4-5-12(13)9-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyPLGWFSFZVHNYKN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.46
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine (PubChem CID 106575467) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
PubChem CID106575467
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
SMILESCCCCNc1nccn1C1CC2CCC1C2
InChIInChI=1S/C14H23N3/c1-2-3-6-15-14-16-7-8-17(14)13-10-11-4-5-12(13)9-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyPLGWFSFZVHNYKN-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
CID 106572877
N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581425
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1,2-bis(2-bicyclo[2.2.1]heptanyl)imidazole
CID 69224518
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106572492
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
CID 106575477
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine (CID 106575467) is 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine is CCCCNc1nccn1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine?
The InChIKey is PLGWFSFZVHNYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-6-15-14-16-7-8-17(14)13-10-11-4-5-12(13)9-11/h7-8,11-13H,2-6,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine has a molecular weight of 233.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine is sourced from PubChem (CID 106575467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).