5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C9H17N3 — CID 79497299

IUPAC5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CC
InChIInChI=1S/C9H17N3/c1-4-6-12-8(10)11-7-9(12,3)5-2/h4H,1,5-7H2,2-3H3,(H2,10,11)
InChIKeySCWJRFFCRLLPHY-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.97
Rot. Bonds3

About 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497299) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497299
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)CC
InChIInChI=1S/C9H17N3/c1-4-6-12-8(10)11-7-9(12,3)5-2/h4H,1,5-7H2,2-3H3,(H2,10,11)
InChIKeySCWJRFFCRLLPHY-UHFFFAOYSA-N
XLogP0.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.97
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

5-methyl-1-prop-2-enyl-5-(4,4,4-trifluorobutyl)-4H-imidazol-2-amine
CID 116536429
5-Pentan-3-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496741
7-Methyl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79496751
7-Propan-2-yl-1-prop-2-enyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79496892
1-Prop-2-enyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496900
5-Propan-2-yl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496901
5-methyl-5-(3-methylbutyl)-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497066
5-cyclopropyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497067
5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497087
5-hexyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497294
5-(2-Methylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497308
5-Ethyl-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497493

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497299) is 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)CC.
What is the InChIKey of 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is SCWJRFFCRLLPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-6-12-8(10)11-7-9(12,3)5-2/h4H,1,5-7H2,2-3H3,(H2,10,11).
What are the key properties of 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).