N-methyl-3-methyliminopropan-1-amine

C5H12N2 — CID 54209032

IUPACN-methyl-3-methyliminopropan-1-amine
SMILESC/N=C/CCNC
InChIInChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyPUPRRTGBCLNHNB-GQCTYLIASA-N
MW100.16 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-3-methyliminopropan-1-amine

N-methyl-3-methyliminopropan-1-amine (PubChem CID 54209032) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-methyl-3-methyliminopropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methyliminopropan-1-amine
PubChem CID54209032
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-methyl-3-methyliminopropan-1-amine
SMILESC/N=C/CCNC
InChIInChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyPUPRRTGBCLNHNB-GQCTYLIASA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methyliminopropan-1-amine?
The IUPAC name of N-methyl-3-methyliminopropan-1-amine (CID 54209032) is N-methyl-3-methyliminopropan-1-amine.
What is the SMILES notation for N-methyl-3-methyliminopropan-1-amine?
The canonical SMILES for N-methyl-3-methyliminopropan-1-amine is C/N=C/CCNC.
What is the InChIKey of N-methyl-3-methyliminopropan-1-amine?
The InChIKey is PUPRRTGBCLNHNB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H12N2/c1-6-4-3-5-7-2/h4,7H,3,5H2,1-2H3/b6-4+.
What are the key properties of N-methyl-3-methyliminopropan-1-amine?
N-methyl-3-methyliminopropan-1-amine has a molecular weight of 100.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methyliminopropan-1-amine is sourced from PubChem (CID 54209032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).