4-imino-1-methoxy-N-methylbutan-2-amine

C6H14N2O — CID 88905400

IUPAC4-imino-1-methoxy-N-methylbutan-2-amine
SMILES[H]/N=C/CC(COC)NC
InChIInChI=1S/C6H14N2O/c1-8-6(3-4-7)5-9-2/h4,6-8H,3,5H2,1-2H3/b7-4+
InChIKeyCVDCFBSABGGCIK-QPJJXVBHSA-N
MW130.19 g/mol
LogP0.26
Rot. Bonds5

About 4-imino-1-methoxy-N-methylbutan-2-amine

4-imino-1-methoxy-N-methylbutan-2-amine (PubChem CID 88905400) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-imino-1-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-imino-1-methoxy-N-methylbutan-2-amine
PubChem CID88905400
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name4-imino-1-methoxy-N-methylbutan-2-amine
SMILES[H]/N=C/CC(COC)NC
InChIInChI=1S/C6H14N2O/c1-8-6(3-4-7)5-9-2/h4,6-8H,3,5H2,1-2H3/b7-4+
InChIKeyCVDCFBSABGGCIK-QPJJXVBHSA-N
XLogP0.26
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
1-methoxy-N-methyl-3-(2-methylbutan-2-yloxy)propan-2-amine
CID 107506722
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methoxy-N-methylbutan-2-amine?
The IUPAC name of 4-imino-1-methoxy-N-methylbutan-2-amine (CID 88905400) is 4-imino-1-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 4-imino-1-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 4-imino-1-methoxy-N-methylbutan-2-amine is [H]/N=C/CC(COC)NC.
What is the InChIKey of 4-imino-1-methoxy-N-methylbutan-2-amine?
The InChIKey is CVDCFBSABGGCIK-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-6(3-4-7)5-9-2/h4,6-8H,3,5H2,1-2H3/b7-4+.
What are the key properties of 4-imino-1-methoxy-N-methylbutan-2-amine?
4-imino-1-methoxy-N-methylbutan-2-amine has a molecular weight of 130.19 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 88905400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).