5-methylidene-3-propan-2-yl-4H-imidazol-2-amine

C7H13N3 — CID 126652481

IUPAC5-methylidene-3-propan-2-yl-4H-imidazol-2-amine
SMILESC=C1CN(C(C)C)C(N)=N1
InChIInChI=1S/C7H13N3/c1-5(2)10-4-6(3)9-7(10)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyJYSSTJAPPPJCHA-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.54
Rot. Bonds1

About 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine

5-methylidene-3-propan-2-yl-4H-imidazol-2-amine (PubChem CID 126652481) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methylidene-3-propan-2-yl-4H-imidazol-2-amine
PubChem CID126652481
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-methylidene-3-propan-2-yl-4H-imidazol-2-amine
SMILESC=C1CN(C(C)C)C(N)=N1
InChIInChI=1S/C7H13N3/c1-5(2)10-4-6(3)9-7(10)8/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyJYSSTJAPPPJCHA-UHFFFAOYSA-N
XLogP0.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine (CID 126652481) is 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine is C=C1CN(C(C)C)C(N)=N1.
What is the InChIKey of 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is JYSSTJAPPPJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)10-4-6(3)9-7(10)8/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine?
5-methylidene-3-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 126652481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).