3-methyliminoprop-1-en-1-amine

C4H8N2 — CID 72522918

IUPAC3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=CN
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5/h2-4H,5H2,1H3/b3-2?,6-4+
InChIKeyQKXMFJPIPLGVJI-KMSZJSRBSA-N
MW84.12 g/mol
LogP0.16
Rot. Bonds1

About 3-methyliminoprop-1-en-1-amine

3-methyliminoprop-1-en-1-amine (PubChem CID 72522918) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name3-methyliminoprop-1-en-1-amine
PubChem CID72522918
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C=CN
InChIInChI=1S/C4H8N2/c1-6-4-2-3-5/h2-4H,5H2,1H3/b3-2?,6-4+
InChIKeyQKXMFJPIPLGVJI-KMSZJSRBSA-N
XLogP0.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyliminoprop-1-en-1-amine?
The IUPAC name of 3-methyliminoprop-1-en-1-amine (CID 72522918) is 3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 3-methyliminoprop-1-en-1-amine is C/N=C/C=CN.
What is the InChIKey of 3-methyliminoprop-1-en-1-amine?
The InChIKey is QKXMFJPIPLGVJI-KMSZJSRBSA-N. The full InChI is InChI=1S/C4H8N2/c1-6-4-2-3-5/h2-4H,5H2,1H3/b3-2?,6-4+.
What are the key properties of 3-methyliminoprop-1-en-1-amine?
3-methyliminoprop-1-en-1-amine has a molecular weight of 84.12 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 72522918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).