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

C13H28N2S — CID 43207984

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCSC1)N(C)C
InChIInChI=1S/C13H28N2S/c1-5-11(6-2)13(15(3)4)9-14-12-7-8-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyOJVXCZXEXJQLGL-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds7

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

3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 43207984) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID43207984
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCSC1)N(C)C
InChIInChI=1S/C13H28N2S/c1-5-11(6-2)13(15(3)4)9-14-12-7-8-16-10-12/h11-14H,5-10H2,1-4H3
InChIKeyOJVXCZXEXJQLGL-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiolan-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107132801
N-(2,2-difluoroethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132839
N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
CID 112737916
[(2S,4S)-4-fluoro-1-(thiolan-3-ylmethyl)pyrrolidin-2-yl]methanamine
CID 131067548
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
4-(Ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53918466
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
N-ethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 54236574

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (CID 43207984) is 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is CCC(CC)C(CNC1CCSC1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is OJVXCZXEXJQLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-5-11(6-2)13(15(3)4)9-14-12-7-8-16-10-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43207984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).