3-imino-N,N-dimethylprop-1-en-1-amine

C5H10N2 — CID 54469398

IUPAC3-imino-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C=CN(C)C
InChIInChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3-6H,1-2H3/b5-3?,6-4+
InChIKeyXHFMZAZMIBYQFR-QEKUZXLOSA-N
MW98.15 g/mol
LogP0.71
Rot. Bonds2

About 3-imino-N,N-dimethylprop-1-en-1-amine

3-imino-N,N-dimethylprop-1-en-1-amine (PubChem CID 54469398) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 3-imino-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-N,N-dimethylprop-1-en-1-amine
PubChem CID54469398
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name3-imino-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C=CN(C)C
InChIInChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3-6H,1-2H3/b5-3?,6-4+
InChIKeyXHFMZAZMIBYQFR-QEKUZXLOSA-N
XLogP0.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.71
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 3-imino-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of 3-imino-N,N-dimethylprop-1-en-1-amine (CID 54469398) is 3-imino-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for 3-imino-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for 3-imino-N,N-dimethylprop-1-en-1-amine is [H]/N=C/C=CN(C)C.
What is the InChIKey of 3-imino-N,N-dimethylprop-1-en-1-amine?
The InChIKey is XHFMZAZMIBYQFR-QEKUZXLOSA-N. The full InChI is InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3-6H,1-2H3/b5-3?,6-4+.
What are the key properties of 3-imino-N,N-dimethylprop-1-en-1-amine?
3-imino-N,N-dimethylprop-1-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 54469398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).