2-imino-3-methylimidazolidin-1-amine

C4H10N4 — CID 20637448

IUPAC2-imino-3-methylimidazolidin-1-amine
SMILES[H]/N=C1\N(C)CCN1N
InChIInChI=1S/C4H10N4/c1-7-2-3-8(6)4(7)5/h5H,2-3,6H2,1H3/b5-4+
InChIKeyITWFBFZDGIUWIA-SNAWJCMRSA-N
MW114.15 g/mol
LogP-0.96
Rot. Bonds

About 2-imino-3-methylimidazolidin-1-amine

2-imino-3-methylimidazolidin-1-amine (PubChem CID 20637448) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-imino-3-methylimidazolidin-1-amine.

Molecular Properties

Compound Name2-imino-3-methylimidazolidin-1-amine
PubChem CID20637448
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name2-imino-3-methylimidazolidin-1-amine
SMILES[H]/N=C1\N(C)CCN1N
InChIInChI=1S/C4H10N4/c1-7-2-3-8(6)4(7)5/h5H,2-3,6H2,1H3/b5-4+
InChIKeyITWFBFZDGIUWIA-SNAWJCMRSA-N
XLogP-0.96
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-methylimidazolidin-1-amine?
The IUPAC name of 2-imino-3-methylimidazolidin-1-amine (CID 20637448) is 2-imino-3-methylimidazolidin-1-amine.
What is the SMILES notation for 2-imino-3-methylimidazolidin-1-amine?
The canonical SMILES for 2-imino-3-methylimidazolidin-1-amine is [H]/N=C1\N(C)CCN1N.
What is the InChIKey of 2-imino-3-methylimidazolidin-1-amine?
The InChIKey is ITWFBFZDGIUWIA-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H10N4/c1-7-2-3-8(6)4(7)5/h5H,2-3,6H2,1H3/b5-4+.
What are the key properties of 2-imino-3-methylimidazolidin-1-amine?
2-imino-3-methylimidazolidin-1-amine has a molecular weight of 114.15 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methylimidazolidin-1-amine is sourced from PubChem (CID 20637448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).