4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine

C9H16N4 — CID 117191734

IUPAC4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(CNC2CC2)nc1N
InChIInChI=1S/C9H16N4/c1-2-13-6-8(12-9(13)10)5-11-7-3-4-7/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyJXWZPJSRWRBCSX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.74
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine

4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine (PubChem CID 117191734) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
PubChem CID117191734
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
SMILESCCn1cc(CNC2CC2)nc1N
InChIInChI=1S/C9H16N4/c1-2-13-6-8(12-9(13)10)5-11-7-3-4-7/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyJXWZPJSRWRBCSX-UHFFFAOYSA-N
XLogP0.74
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine (CID 117191734) is 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine is CCn1cc(CNC2CC2)nc1N.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine?
The InChIKey is JXWZPJSRWRBCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-6-8(12-9(13)10)5-11-7-3-4-7/h6-7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine?
4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 117191734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).