(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine

C6H10N2 — CID 130427039

IUPAC(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(N)=C/C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3/b5-4-,6-3+
InChIKeyGBRUHYVLXSGGBB-XNYOYJNRSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine

(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 130427039) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID130427039
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(N)=C/C
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3/b5-4-,6-3+
InChIKeyGBRUHYVLXSGGBB-XNYOYJNRSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
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 (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine (CID 130427039) is (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine is C=N/C=C\C(N)=C/C.
What is the InChIKey of (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is GBRUHYVLXSGGBB-XNYOYJNRSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3/b5-4-,6-3+.
What are the key properties of (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine?
(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 130427039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).