2-imino-N-methyl-N-prop-2-enylpropan-1-amine

C7H14N2 — CID 146262565

IUPAC2-imino-N-methyl-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CN(C)CC=C
InChIInChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/b8-7+
InChIKeyQERBTADHFHMXGI-BQYQJAHWSA-N
MW126.20 g/mol
LogP1.14
Rot. Bonds4

About 2-imino-N-methyl-N-prop-2-enylpropan-1-amine

2-imino-N-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 146262565) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-imino-N-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-imino-N-methyl-N-prop-2-enylpropan-1-amine
PubChem CID146262565
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-imino-N-methyl-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CN(C)CC=C
InChIInChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/b8-7+
InChIKeyQERBTADHFHMXGI-BQYQJAHWSA-N
XLogP1.14
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-imino-N-methyl-N-prop-2-enylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-imino-N-methyl-N-prop-2-enylpropan-1-amine (CID 146262565) is 2-imino-N-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-imino-N-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-imino-N-methyl-N-prop-2-enylpropan-1-amine is [H]/N=C(\C)CN(C)CC=C.
What is the InChIKey of 2-imino-N-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is QERBTADHFHMXGI-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-9(3)6-7(2)8/h4,8H,1,5-6H2,2-3H3/b8-7+.
What are the key properties of 2-imino-N-methyl-N-prop-2-enylpropan-1-amine?
2-imino-N-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 146262565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).