N-methyl-1-(propylideneamino)methanamine

C5H12N2 — CID 123929630

IUPACN-methyl-1-(propylideneamino)methanamine
SMILESCCC=NCNC
InChIInChI=1S/C5H12N2/c1-3-4-7-5-6-2/h4,6H,3,5H2,1-2H3
InChIKeyCQMREBALISBBGO-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.64
Rot. Bonds3

About N-methyl-1-(propylideneamino)methanamine

N-methyl-1-(propylideneamino)methanamine (PubChem CID 123929630) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-methyl-1-(propylideneamino)methanamine.

Molecular Properties

Compound NameN-methyl-1-(propylideneamino)methanamine
PubChem CID123929630
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-methyl-1-(propylideneamino)methanamine
SMILESCCC=NCNC
InChIInChI=1S/C5H12N2/c1-3-4-7-5-6-2/h4,6H,3,5H2,1-2H3
InChIKeyCQMREBALISBBGO-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54209032
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CID 56616842
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CID 59872098
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CID 90708487
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(propylideneamino)methanamine?
The IUPAC name of N-methyl-1-(propylideneamino)methanamine (CID 123929630) is N-methyl-1-(propylideneamino)methanamine.
What is the SMILES notation for N-methyl-1-(propylideneamino)methanamine?
The canonical SMILES for N-methyl-1-(propylideneamino)methanamine is CCC=NCNC.
What is the InChIKey of N-methyl-1-(propylideneamino)methanamine?
The InChIKey is CQMREBALISBBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-4-7-5-6-2/h4,6H,3,5H2,1-2H3.
What are the key properties of N-methyl-1-(propylideneamino)methanamine?
N-methyl-1-(propylideneamino)methanamine has a molecular weight of 100.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(propylideneamino)methanamine is sourced from PubChem (CID 123929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).