(Z)-1-(propylideneamino)but-1-en-1-amine

C7H14N2 — CID 173297183

IUPAC(Z)-1-(propylideneamino)but-1-en-1-amine
SMILESCCC=N/C(N)=C\CC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h5-6H,3-4,8H2,1-2H3/b7-5-,9-6?
InChIKeyAOGOVPDDYPCVPZ-WKOMHGTBSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About (Z)-1-(propylideneamino)but-1-en-1-amine

(Z)-1-(propylideneamino)but-1-en-1-amine (PubChem CID 173297183) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-1-(propylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(propylideneamino)but-1-en-1-amine
PubChem CID173297183
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-1-(propylideneamino)but-1-en-1-amine
SMILESCCC=N/C(N)=C\CC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h5-6H,3-4,8H2,1-2H3/b7-5-,9-6?
InChIKeyAOGOVPDDYPCVPZ-WKOMHGTBSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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 (Z)-1-(propylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-1-(propylideneamino)but-1-en-1-amine (CID 173297183) is (Z)-1-(propylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-1-(propylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-1-(propylideneamino)but-1-en-1-amine is CCC=N/C(N)=C\CC.
What is the InChIKey of (Z)-1-(propylideneamino)but-1-en-1-amine?
The InChIKey is AOGOVPDDYPCVPZ-WKOMHGTBSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(8)9-6-4-2/h5-6H,3-4,8H2,1-2H3/b7-5-,9-6?.
What are the key properties of (Z)-1-(propylideneamino)but-1-en-1-amine?
(Z)-1-(propylideneamino)but-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(propylideneamino)but-1-en-1-amine is sourced from PubChem (CID 173297183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).