N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine

C10H20N2S — CID 62561682

IUPACN'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCSC1
InChIInChI=1S/C10H20N2S/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyYSNLXBHNVIVKEJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.20
Rot. Bonds6

About N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine

N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 62561682) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID62561682
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESC=CCNCCN(C)C1CCSC1
InChIInChI=1S/C10H20N2S/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3
InChIKeyYSNLXBHNVIVKEJ-UHFFFAOYSA-N
XLogP1.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine (CID 62561682) is N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine is C=CCNCCN(C)C1CCSC1.
What is the InChIKey of N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is YSNLXBHNVIVKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-5-11-6-7-12(2)10-4-8-13-9-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 200.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-2-enyl-N'-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).