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

C12H26N2S — CID 43296423

IUPAC3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)C1CCSC1
InChIInChI=1S/C12H26N2S/c1-4-10(5-2)12(8-13)14(3)11-6-7-15-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyRCOOTZWJQVJHGZ-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.19
Rot. Bonds6

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

3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 43296423) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID43296423
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)C1CCSC1
InChIInChI=1S/C12H26N2S/c1-4-10(5-2)12(8-13)14(3)11-6-7-15-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyRCOOTZWJQVJHGZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Thiolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 107132585
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
N-ethyl-4-(ethylsulfanylmethyl)pyrrolidin-3-amine
CID 53930399
4-(ethylsulfanylmethyl)-N-methylpyrrolidin-3-amine
CID 53964468
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036
(3-Pentyl-1,3-thiazolidin-4-yl)methanamine
CID 68605554

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine (CID 43296423) is 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine is CCC(CC)C(CN)N(C)C1CCSC1.
What is the InChIKey of 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is RCOOTZWJQVJHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-10(5-2)12(8-13)14(3)11-6-7-15-9-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine?
3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-methyl-2-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 43296423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).