2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine

C5H11N3 — CID 146703822

IUPAC2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
SMILESC/N=C/C(=CN)NC
InChIInChI=1S/C5H11N3/c1-7-4-5(3-6)8-2/h3-4,8H,6H2,1-2H3/b5-3?,7-4+
InChIKeyAXMCPIBRSUBVBV-WWSNNFSYSA-N
MW113.16 g/mol
LogP-0.29
Rot. Bonds2

About 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine

2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine (PubChem CID 146703822) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
PubChem CID146703822
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine
SMILESC/N=C/C(=CN)NC
InChIInChI=1S/C5H11N3/c1-7-4-5(3-6)8-2/h3-4,8H,6H2,1-2H3/b5-3?,7-4+
InChIKeyAXMCPIBRSUBVBV-WWSNNFSYSA-N
XLogP-0.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine?
The IUPAC name of 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine (CID 146703822) is 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine?
The canonical SMILES for 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine is C/N=C/C(=CN)NC.
What is the InChIKey of 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine?
The InChIKey is AXMCPIBRSUBVBV-WWSNNFSYSA-N. The full InChI is InChI=1S/C5H11N3/c1-7-4-5(3-6)8-2/h3-4,8H,6H2,1-2H3/b5-3?,7-4+.
What are the key properties of 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine?
2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-methyliminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 146703822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).