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

C11H22N2S — CID 62568259

IUPAC2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESC=CCNCC(C)N(C)C1CCSC1
InChIInChI=1S/C11H22N2S/c1-4-6-12-8-10(2)13(3)11-5-7-14-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOGRMQEDYAIUPCM-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds6

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

2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine (PubChem CID 62568259) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine
PubChem CID62568259
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine
SMILESC=CCNCC(C)N(C)C1CCSC1
InChIInChI=1S/C11H22N2S/c1-4-6-12-8-10(2)13(3)11-5-7-14-9-11/h4,10-12H,1,5-9H2,2-3H3
InChIKeyOGRMQEDYAIUPCM-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
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 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine (CID 62568259) is 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine is C=CCNCC(C)N(C)C1CCSC1.
What is the InChIKey of 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
The InChIKey is OGRMQEDYAIUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-6-12-8-10(2)13(3)11-5-7-14-9-11/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine?
2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-prop-2-enyl-2-N-(thiolan-3-yl)propane-1,2-diamine is sourced from PubChem (CID 62568259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).