N-methyl-3-methyliminobut-1-en-2-amine

C6H12N2 — CID 58898686

IUPACN-methyl-3-methyliminobut-1-en-2-amine
SMILESC=C(NC)/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-5(7-3)6(2)8-4/h7H,1H2,2-4H3/b8-6+
InChIKeyVFXKIYCQSXBWOP-SOFGYWHQSA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds2

About N-methyl-3-methyliminobut-1-en-2-amine

N-methyl-3-methyliminobut-1-en-2-amine (PubChem CID 58898686) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-3-methyliminobut-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-methyliminobut-1-en-2-amine
PubChem CID58898686
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-3-methyliminobut-1-en-2-amine
SMILESC=C(NC)/C(C)=N/C
InChIInChI=1S/C6H12N2/c1-5(7-3)6(2)8-4/h7H,1H2,2-4H3/b8-6+
InChIKeyVFXKIYCQSXBWOP-SOFGYWHQSA-N
XLogP0.81
TPSA24.39 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 ≤ 50.81
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 N-methyl-3-methyliminobut-1-en-2-amine?
The IUPAC name of N-methyl-3-methyliminobut-1-en-2-amine (CID 58898686) is N-methyl-3-methyliminobut-1-en-2-amine.
What is the SMILES notation for N-methyl-3-methyliminobut-1-en-2-amine?
The canonical SMILES for N-methyl-3-methyliminobut-1-en-2-amine is C=C(NC)/C(C)=N/C.
What is the InChIKey of N-methyl-3-methyliminobut-1-en-2-amine?
The InChIKey is VFXKIYCQSXBWOP-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7-3)6(2)8-4/h7H,1H2,2-4H3/b8-6+.
What are the key properties of N-methyl-3-methyliminobut-1-en-2-amine?
N-methyl-3-methyliminobut-1-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methyliminobut-1-en-2-amine is sourced from PubChem (CID 58898686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).