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

C5H10N2 — CID 142945378

IUPAC(Z)-N-(methylideneamino)but-2-en-2-amine
SMILESC=NN/C(C)=C\C
InChIInChI=1S/C5H10N2/c1-4-5(2)7-6-3/h4,7H,3H2,1-2H3/b5-4-
InChIKeyVLOUDJVRFZKHMJ-PLNGDYQASA-N
MW98.15 g/mol
LogP1.12
Rot. Bonds2

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

(Z)-N-(methylideneamino)but-2-en-2-amine (PubChem CID 142945378) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)but-2-en-2-amine
PubChem CID142945378
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(Z)-N-(methylideneamino)but-2-en-2-amine
SMILESC=NN/C(C)=C\C
InChIInChI=1S/C5H10N2/c1-4-5(2)7-6-3/h4,7H,3H2,1-2H3/b5-4-
InChIKeyVLOUDJVRFZKHMJ-PLNGDYQASA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 (Z)-N-(methylideneamino)but-2-en-2-amine?
The IUPAC name of (Z)-N-(methylideneamino)but-2-en-2-amine (CID 142945378) is (Z)-N-(methylideneamino)but-2-en-2-amine.
What is the SMILES notation for (Z)-N-(methylideneamino)but-2-en-2-amine?
The canonical SMILES for (Z)-N-(methylideneamino)but-2-en-2-amine is C=NN/C(C)=C\C.
What is the InChIKey of (Z)-N-(methylideneamino)but-2-en-2-amine?
The InChIKey is VLOUDJVRFZKHMJ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H10N2/c1-4-5(2)7-6-3/h4,7H,3H2,1-2H3/b5-4-.
What are the key properties of (Z)-N-(methylideneamino)but-2-en-2-amine?
(Z)-N-(methylideneamino)but-2-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)but-2-en-2-amine is sourced from PubChem (CID 142945378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).