N'-methylprop-1-ene-1,3-diamine

C4H10N2 — CID 85451650

IUPACN'-methylprop-1-ene-1,3-diamine
SMILESCNCC=CN
InChIInChI=1S/C4H10N2/c1-6-4-2-3-5/h2-3,6H,4-5H2,1H3
InChIKeyZMHNSQUNIXXOKS-UHFFFAOYSA-N
MW86.14 g/mol
LogP-0.32
Rot. Bonds2

About N'-methylprop-1-ene-1,3-diamine

N'-methylprop-1-ene-1,3-diamine (PubChem CID 85451650) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N'-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN'-methylprop-1-ene-1,3-diamine
PubChem CID85451650
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN'-methylprop-1-ene-1,3-diamine
SMILESCNCC=CN
InChIInChI=1S/C4H10N2/c1-6-4-2-3-5/h2-3,6H,4-5H2,1H3
InChIKeyZMHNSQUNIXXOKS-UHFFFAOYSA-N
XLogP-0.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-methylprop-1-ene-1,3-diamine 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 N'-methylprop-1-ene-1,3-diamine?
The IUPAC name of N'-methylprop-1-ene-1,3-diamine (CID 85451650) is N'-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for N'-methylprop-1-ene-1,3-diamine?
The canonical SMILES for N'-methylprop-1-ene-1,3-diamine is CNCC=CN.
What is the InChIKey of N'-methylprop-1-ene-1,3-diamine?
The InChIKey is ZMHNSQUNIXXOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-6-4-2-3-5/h2-3,6H,4-5H2,1H3.
What are the key properties of N'-methylprop-1-ene-1,3-diamine?
N'-methylprop-1-ene-1,3-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 85451650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).