N-(methylideneamino)prop-1-en-2-amine

C4H8N2 — CID 58051997

IUPACN-(methylideneamino)prop-1-en-2-amine
SMILESC=NNC(=C)C
InChIInChI=1S/C4H8N2/c1-4(2)6-5-3/h6H,1,3H2,2H3
InChIKeyBXERSKZQEGEUPP-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.73
Rot. Bonds2

About N-(methylideneamino)prop-1-en-2-amine

N-(methylideneamino)prop-1-en-2-amine (PubChem CID 58051997) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N-(methylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)prop-1-en-2-amine
PubChem CID58051997
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN-(methylideneamino)prop-1-en-2-amine
SMILESC=NNC(=C)C
InChIInChI=1S/C4H8N2/c1-4(2)6-5-3/h6H,1,3H2,2H3
InChIKeyBXERSKZQEGEUPP-UHFFFAOYSA-N
XLogP0.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)prop-1-en-2-amine?
The IUPAC name of N-(methylideneamino)prop-1-en-2-amine (CID 58051997) is N-(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for N-(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for N-(methylideneamino)prop-1-en-2-amine is C=NNC(=C)C.
What is the InChIKey of N-(methylideneamino)prop-1-en-2-amine?
The InChIKey is BXERSKZQEGEUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-4(2)6-5-3/h6H,1,3H2,2H3.
What are the key properties of N-(methylideneamino)prop-1-en-2-amine?
N-(methylideneamino)prop-1-en-2-amine has a molecular weight of 84.12 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 58051997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).