(2S)-N-methyl-1-methyliminobutan-2-amine

C6H14N2 — CID 59124503

IUPAC(2S)-N-methyl-1-methyliminobutan-2-amine
SMILESCC[C@@H](/C=N/C)NC
InChIInChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h5-6,8H,4H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeySSJPWRZEXUIQKB-YXXZKMSWSA-N
MW114.19 g/mol
LogP0.69
Rot. Bonds3

About (2S)-N-methyl-1-methyliminobutan-2-amine

(2S)-N-methyl-1-methyliminobutan-2-amine (PubChem CID 59124503) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S)-N-methyl-1-methyliminobutan-2-amine.

Molecular Properties

Compound Name(2S)-N-methyl-1-methyliminobutan-2-amine
PubChem CID59124503
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(2S)-N-methyl-1-methyliminobutan-2-amine
SMILESCC[C@@H](/C=N/C)NC
InChIInChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h5-6,8H,4H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeySSJPWRZEXUIQKB-YXXZKMSWSA-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 (2S)-N-methyl-1-methyliminobutan-2-amine?
The IUPAC name of (2S)-N-methyl-1-methyliminobutan-2-amine (CID 59124503) is (2S)-N-methyl-1-methyliminobutan-2-amine.
What is the SMILES notation for (2S)-N-methyl-1-methyliminobutan-2-amine?
The canonical SMILES for (2S)-N-methyl-1-methyliminobutan-2-amine is CC[C@@H](/C=N/C)NC.
What is the InChIKey of (2S)-N-methyl-1-methyliminobutan-2-amine?
The InChIKey is SSJPWRZEXUIQKB-YXXZKMSWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(8-3)5-7-2/h5-6,8H,4H2,1-3H3/b7-5+/t6-/m0/s1.
What are the key properties of (2S)-N-methyl-1-methyliminobutan-2-amine?
(2S)-N-methyl-1-methyliminobutan-2-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 (2S)-N-methyl-1-methyliminobutan-2-amine is sourced from PubChem (CID 59124503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).