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

C5H10N2 — CID 142896056

IUPACN-(methylideneamino)but-1-en-2-amine
SMILESC=NNC(=C)CC
InChIInChI=1S/C5H10N2/c1-4-5(2)7-6-3/h7H,2-4H2,1H3
InChIKeyDUGPSDVGQMWUBQ-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.12
Rot. Bonds3

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

N-(methylideneamino)but-1-en-2-amine (PubChem CID 142896056) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-(methylideneamino)but-1-en-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)but-1-en-2-amine
PubChem CID142896056
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-(methylideneamino)but-1-en-2-amine
SMILESC=NNC(=C)CC
InChIInChI=1S/C5H10N2/c1-4-5(2)7-6-3/h7H,2-4H2,1H3
InChIKeyDUGPSDVGQMWUBQ-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.12
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)but-1-en-2-amine?
The IUPAC name of N-(methylideneamino)but-1-en-2-amine (CID 142896056) is N-(methylideneamino)but-1-en-2-amine.
What is the SMILES notation for N-(methylideneamino)but-1-en-2-amine?
The canonical SMILES for N-(methylideneamino)but-1-en-2-amine is C=NNC(=C)CC.
What is the InChIKey of N-(methylideneamino)but-1-en-2-amine?
The InChIKey is DUGPSDVGQMWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-5(2)7-6-3/h7H,2-4H2,1H3.
What are the key properties of N-(methylideneamino)but-1-en-2-amine?
N-(methylideneamino)but-1-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)but-1-en-2-amine is sourced from PubChem (CID 142896056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).