1-(2-methylpropylideneamino)ethenamine

C6H12N2 — CID 58545046

IUPAC1-(2-methylpropylideneamino)ethenamine
SMILESC=C(N)N=CC(C)C
InChIInChI=1S/C6H12N2/c1-5(2)4-8-6(3)7/h4-5H,3,7H2,1-2H3
InChIKeyFUBJFAORGWLTBP-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.14
Rot. Bonds2

About 1-(2-methylpropylideneamino)ethenamine

1-(2-methylpropylideneamino)ethenamine (PubChem CID 58545046) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-(2-methylpropylideneamino)ethenamine.

Molecular Properties

Compound Name1-(2-methylpropylideneamino)ethenamine
PubChem CID58545046
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-(2-methylpropylideneamino)ethenamine
SMILESC=C(N)N=CC(C)C
InChIInChI=1S/C6H12N2/c1-5(2)4-8-6(3)7/h4-5H,3,7H2,1-2H3
InChIKeyFUBJFAORGWLTBP-UHFFFAOYSA-N
XLogP1.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.14
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 1-(2-methylpropylideneamino)ethenamine?
The IUPAC name of 1-(2-methylpropylideneamino)ethenamine (CID 58545046) is 1-(2-methylpropylideneamino)ethenamine.
What is the SMILES notation for 1-(2-methylpropylideneamino)ethenamine?
The canonical SMILES for 1-(2-methylpropylideneamino)ethenamine is C=C(N)N=CC(C)C.
What is the InChIKey of 1-(2-methylpropylideneamino)ethenamine?
The InChIKey is FUBJFAORGWLTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)4-8-6(3)7/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-(2-methylpropylideneamino)ethenamine?
1-(2-methylpropylideneamino)ethenamine has a molecular weight of 112.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylideneamino)ethenamine is sourced from PubChem (CID 58545046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).