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

C16H25N3 — CID 106557756

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H25N3/c1-4-7-17-16-18-11(2)10-19(16)12(3)15-9-13-5-6-14(15)8-13/h4,10,12-15H,1,5-9H2,2-3H3,(H,17,18)
InChIKeyYBAIGTVHUALXSO-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.79
Rot. Bonds5

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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106557756) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106557756
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H25N3/c1-4-7-17-16-18-11(2)10-19(16)12(3)15-9-13-5-6-14(15)8-13/h4,10,12-15H,1,5-9H2,2-3H3,(H,17,18)
InChIKeyYBAIGTVHUALXSO-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.79
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

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106572476
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106557746
4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
1-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566854
4-methyl-1-(2-methylcyclopropyl)-N-prop-2-enylimidazol-2-amine
CID 106571162
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
CID 106575477
1-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106571490
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
CID 106557738
4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562626

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106557756) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is YBAIGTVHUALXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-7-17-16-18-11(2)10-19(16)12(3)15-9-13-5-6-14(15)8-13/h4,10,12-15H,1,5-9H2,2-3H3,(H,17,18).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106557756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).