ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine

C7H14N2 — CID 142886016

IUPACethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-3-5(6)4-7-2;1-2/h3-4H,1-2,6H2;1-2H3/b5-4+;
InChIKeyGHYXAPDKWUMGLW-FXRZFVDSSA-N
MW126.20 g/mol
LogP1.70
Rot. Bonds2

About ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine

ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 142886016) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID142886016
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=C/C(N)=C\N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-3-5(6)4-7-2;1-2/h3-4H,1-2,6H2;1-2H3/b5-4+;
InChIKeyGHYXAPDKWUMGLW-FXRZFVDSSA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine (CID 142886016) is ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine is C=C/C(N)=C\N=C.CC.
What is the InChIKey of ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is GHYXAPDKWUMGLW-FXRZFVDSSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-3-5(6)4-7-2;1-2/h3-4H,1-2,6H2;1-2H3/b5-4+;.
What are the key properties of ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine?
ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E)-1-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 142886016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).