4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine

C12H19N3 — CID 106581460

IUPAC4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC1CC(C)C1
InChIInChI=1S/C12H19N3/c1-4-5-15-8-10(3)13-12(15)14-11-6-9(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3,(H,13,14)
InChIKeyAOFQMQLRFKZLBS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds4

About 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine

4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106581460) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106581460
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC1CC(C)C1
InChIInChI=1S/C12H19N3/c1-4-5-15-8-10(3)13-12(15)14-11-6-9(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3,(H,13,14)
InChIKeyAOFQMQLRFKZLBS-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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Related Compounds

N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106564756
4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581853
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
CID 106574619
4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567600
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569484
1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
CID 106561751
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine (CID 106581460) is 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NC1CC(C)C1.
What is the InChIKey of 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is AOFQMQLRFKZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-5-15-8-10(3)13-12(15)14-11-6-9(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3,(H,13,14).
What are the key properties of 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine?
4-methyl-N-(3-methylcyclobutyl)-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 4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106581460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).