1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine

C15H23N3 — CID 106572476

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CC1CC2CCC1C2
InChIInChI=1S/C15H23N3/c1-3-6-16-15-17-11(2)9-18(15)10-14-8-12-4-5-13(14)7-12/h3,9,12-14H,1,4-8,10H2,2H3,(H,16,17)
InChIKeyZYUAUCJFTJHPPN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106572476) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106572476
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1CC1CC2CCC1C2
InChIInChI=1S/C15H23N3/c1-3-6-16-15-17-11(2)9-18(15)10-14-8-12-4-5-13(14)7-12/h3,9,12-14H,1,4-8,10H2,2H3,(H,16,17)
InChIKeyZYUAUCJFTJHPPN-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106572476) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is ZYUAUCJFTJHPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-6-16-15-17-11(2)9-18(15)10-14-8-12-4-5-13(14)7-12/h3,9,12-14H,1,4-8,10H2,2H3,(H,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.23, 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]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106572476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).