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

C6H10N2 — CID 163573826

IUPAC1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=NC=CC(N)=CC
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3
InChIKeyGBRUHYVLXSGGBB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

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

1-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 163573826) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name1-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID163573826
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=NC=CC(N)=CC
InChIInChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3
InChIKeyGBRUHYVLXSGGBB-UHFFFAOYSA-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 1-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of 1-(methylideneamino)penta-1,3-dien-3-amine (CID 163573826) is 1-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for 1-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for 1-(methylideneamino)penta-1,3-dien-3-amine is C=NC=CC(N)=CC.
What is the InChIKey of 1-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is GBRUHYVLXSGGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(7)4-5-8-2/h3-5H,2,7H2,1H3.
What are the key properties of 1-(methylideneamino)penta-1,3-dien-3-amine?
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 1-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 163573826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).