N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine

C4H8N4 — CID 90250713

IUPACN-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=NNC1=NCCN1
InChIInChI=1S/C4H8N4/c1-5-8-4-6-2-3-7-4/h1-3H2,(H2,6,7,8)
InChIKeyNFICFGPHLIHDRQ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.85
Rot. Bonds1

About N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine

N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 90250713) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID90250713
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=NNC1=NCCN1
InChIInChI=1S/C4H8N4/c1-5-8-4-6-2-3-7-4/h1-3H2,(H2,6,7,8)
InChIKeyNFICFGPHLIHDRQ-UHFFFAOYSA-N
XLogP-0.85
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine (CID 90250713) is N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine is C=NNC1=NCCN1.
What is the InChIKey of N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is NFICFGPHLIHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-5-8-4-6-2-3-7-4/h1-3H2,(H2,6,7,8).
What are the key properties of N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 112.14 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 90250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).