5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine

C10H19N3 — CID 79497087

IUPAC5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)CC
InChIInChI=1S/C10H19N3/c1-4-7-13-9(11)12-8-10(13,5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,11,12)
InChIKeyCWRXPUFECQLNAU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.36
Rot. Bonds4

About 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine

5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497087) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497087
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(CC)CC
InChIInChI=1S/C10H19N3/c1-4-7-13-9(11)12-8-10(13,5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,11,12)
InChIKeyCWRXPUFECQLNAU-UHFFFAOYSA-N
XLogP1.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.36
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 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497087) is 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(CC)CC.
What is the InChIKey of 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is CWRXPUFECQLNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-7-13-9(11)12-8-10(13,5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,11,12).
What are the key properties of 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine?
5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).