N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine

C9H18N2S — CID 103069322

IUPACN'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESC=C(CN)CN(C)C1CCSC1
InChIInChI=1S/C9H18N2S/c1-8(5-10)6-11(2)9-3-4-12-7-9/h9H,1,3-7,10H2,2H3
InChIKeyNITQCFPQWBVFKN-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.94
Rot. Bonds4

About N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine

N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 103069322) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine
PubChem CID103069322
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESC=C(CN)CN(C)C1CCSC1
InChIInChI=1S/C9H18N2S/c1-8(5-10)6-11(2)9-3-4-12-7-9/h9H,1,3-7,10H2,2H3
InChIKeyNITQCFPQWBVFKN-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-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'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine (CID 103069322) is N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine is C=C(CN)CN(C)C1CCSC1.
What is the InChIKey of N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is NITQCFPQWBVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8(5-10)6-11(2)9-3-4-12-7-9/h9H,1,3-7,10H2,2H3.
What are the key properties of N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine?
N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 186.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylidene-N'-(thiolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 103069322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).