2-methyl-3-methyliminobutan-1-amine

C6H14N2 — CID 123416575

IUPAC2-methyl-3-methyliminobutan-1-amine
SMILESC/N=C(\C)C(C)CN
InChIInChI=1S/C6H14N2/c1-5(4-7)6(2)8-3/h5H,4,7H2,1-3H3/b8-6+
InChIKeyQLHSWPJRSCVYLT-SOFGYWHQSA-N
MW114.19 g/mol
LogP0.67
Rot. Bonds2

About 2-methyl-3-methyliminobutan-1-amine

2-methyl-3-methyliminobutan-1-amine (PubChem CID 123416575) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methyl-3-methyliminobutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methyliminobutan-1-amine
PubChem CID123416575
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-methyl-3-methyliminobutan-1-amine
SMILESC/N=C(\C)C(C)CN
InChIInChI=1S/C6H14N2/c1-5(4-7)6(2)8-3/h5H,4,7H2,1-3H3/b8-6+
InChIKeyQLHSWPJRSCVYLT-SOFGYWHQSA-N
XLogP0.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.67
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-methyl-3-methyliminobutan-1-amine?
The IUPAC name of 2-methyl-3-methyliminobutan-1-amine (CID 123416575) is 2-methyl-3-methyliminobutan-1-amine.
What is the SMILES notation for 2-methyl-3-methyliminobutan-1-amine?
The canonical SMILES for 2-methyl-3-methyliminobutan-1-amine is C/N=C(\C)C(C)CN.
What is the InChIKey of 2-methyl-3-methyliminobutan-1-amine?
The InChIKey is QLHSWPJRSCVYLT-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(4-7)6(2)8-3/h5H,4,7H2,1-3H3/b8-6+.
What are the key properties of 2-methyl-3-methyliminobutan-1-amine?
2-methyl-3-methyliminobutan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminobutan-1-amine is sourced from PubChem (CID 123416575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).