N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine

C12H19N3 — CID 106564756

IUPACN-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C12H19N3/c1-5-6-15-8-9(2)13-11(15)14-10-7-12(10,3)4/h5,8,10H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyFOEXPZMCZHGTBW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds4

About N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine

N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106564756) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106564756
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC1CC1(C)C
InChIInChI=1S/C12H19N3/c1-5-6-15-8-9(2)13-11(15)14-10-7-12(10,3)4/h5,8,10H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyFOEXPZMCZHGTBW-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
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 N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106564756) is N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is FOEXPZMCZHGTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-15-8-9(2)13-11(15)14-10-7-12(10,3)4/h5,8,10H,1,6-7H2,2-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106564756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).