2-methylidene-3-methyliminobutan-1-amine

C6H12N2 — CID 167063600

IUPAC2-methylidene-3-methyliminobutan-1-amine
SMILESC=C(CN)/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h1,4,7H2,2-3H3/b8-6+
InChIKeyODRPMSNRLAPAAZ-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds2

About 2-methylidene-3-methyliminobutan-1-amine

2-methylidene-3-methyliminobutan-1-amine (PubChem CID 167063600) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-methylidene-3-methyliminobutan-1-amine.

Molecular Properties

Compound Name2-methylidene-3-methyliminobutan-1-amine
PubChem CID167063600
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-methylidene-3-methyliminobutan-1-amine
SMILESC=C(CN)/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h1,4,7H2,2-3H3/b8-6+
InChIKeyODRPMSNRLAPAAZ-SOFGYWHQSA-N
XLogP0.59
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 ≤ 50.59
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 2-methylidene-3-methyliminobutan-1-amine?
The IUPAC name of 2-methylidene-3-methyliminobutan-1-amine (CID 167063600) is 2-methylidene-3-methyliminobutan-1-amine.
What is the SMILES notation for 2-methylidene-3-methyliminobutan-1-amine?
The canonical SMILES for 2-methylidene-3-methyliminobutan-1-amine is C=C(CN)/C(C)=N/C.
What is the InChIKey of 2-methylidene-3-methyliminobutan-1-amine?
The InChIKey is ODRPMSNRLAPAAZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h1,4,7H2,2-3H3/b8-6+.
What are the key properties of 2-methylidene-3-methyliminobutan-1-amine?
2-methylidene-3-methyliminobutan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-methyliminobutan-1-amine is sourced from PubChem (CID 167063600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).