4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine

C7H12N4 — CID 20643050

IUPAC4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine
SMILESC=Nc1nc(C(C)C)[nH]c1N
InChIInChI=1S/C7H12N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,3,8H2,1-2H3,(H,10,11)
InChIKeyZOIVJAPFQWFEJU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.45
Rot. Bonds2

About 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine

4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine (PubChem CID 20643050) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine
PubChem CID20643050
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine
SMILESC=Nc1nc(C(C)C)[nH]c1N
InChIInChI=1S/C7H12N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,3,8H2,1-2H3,(H,10,11)
InChIKeyZOIVJAPFQWFEJU-UHFFFAOYSA-N
XLogP1.45
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine?
The IUPAC name of 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine (CID 20643050) is 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine?
The canonical SMILES for 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine is C=Nc1nc(C(C)C)[nH]c1N.
What is the InChIKey of 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine?
The InChIKey is ZOIVJAPFQWFEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4(2)6-10-5(8)7(9-3)11-6/h4H,3,8H2,1-2H3,(H,10,11).
What are the key properties of 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine?
4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine has a molecular weight of 152.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)-2-propan-2-yl-1H-imidazol-5-amine is sourced from PubChem (CID 20643050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).