N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine

C11H24N2S — CID 79660135

IUPACN'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-13(9-11(2,3)8-12)10-5-6-14-7-10/h10H,4-9,12H2,1-3H3
InChIKeyJRBHAIMLJMVMDF-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 79660135) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
PubChem CID79660135
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-13(9-11(2,3)8-12)10-5-6-14-7-10/h10H,4-9,12H2,1-3H3
InChIKeyJRBHAIMLJMVMDF-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine (CID 79660135) is N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)C1CCSC1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is JRBHAIMLJMVMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-13(9-11(2,3)8-12)10-5-6-14-7-10/h10H,4-9,12H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(thiolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 79660135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).