N-methyl-2-methyliminobutan-1-amine

C6H14N2 — CID 57184112

IUPACN-methyl-2-methyliminobutan-1-amine
SMILESCC/C(CNC)=N\C
InChIInChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h7H,4-5H2,1-3H3/b8-6+
InChIKeySPMJZLLHXWDMOG-SOFGYWHQSA-N
MW114.19 g/mol
LogP0.69
Rot. Bonds3

About N-methyl-2-methyliminobutan-1-amine

N-methyl-2-methyliminobutan-1-amine (PubChem CID 57184112) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-methyl-2-methyliminobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methyliminobutan-1-amine
PubChem CID57184112
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-methyl-2-methyliminobutan-1-amine
SMILESCC/C(CNC)=N\C
InChIInChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h7H,4-5H2,1-3H3/b8-6+
InChIKeySPMJZLLHXWDMOG-SOFGYWHQSA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.69
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-2-methyliminobutan-1-amine?
The IUPAC name of N-methyl-2-methyliminobutan-1-amine (CID 57184112) is N-methyl-2-methyliminobutan-1-amine.
What is the SMILES notation for N-methyl-2-methyliminobutan-1-amine?
The canonical SMILES for N-methyl-2-methyliminobutan-1-amine is CC/C(CNC)=N\C.
What is the InChIKey of N-methyl-2-methyliminobutan-1-amine?
The InChIKey is SPMJZLLHXWDMOG-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h7H,4-5H2,1-3H3/b8-6+.
What are the key properties of N-methyl-2-methyliminobutan-1-amine?
N-methyl-2-methyliminobutan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methyliminobutan-1-amine is sourced from PubChem (CID 57184112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).