N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine

C11H24N2S — CID 65227989

IUPACN'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCCCC(CN)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-3-4-10(7-12)8-13(2)11-5-6-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyYPFYAJQWXVGFNY-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds6

About N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine

N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine (PubChem CID 65227989) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
PubChem CID65227989
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
SMILESCCCC(CN)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-3-4-10(7-12)8-13(2)11-5-6-14-9-11/h10-11H,3-9,12H2,1-2H3
InChIKeyYPFYAJQWXVGFNY-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

[(2S,4R)-1-tert-butyl-4-fluoro-2-[(1S)-1-methylsulfanylethyl]pyrrolidin-3-yl]methanamine
CID 169667082
N'-methyl-N'-(thiolan-3-yl)-3-(trifluoromethyl)pentane-1,5-diamine
CID 112737916
[5-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616993
2,4,5-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987789
2,4-Dimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987795
4-(ethylsulfanylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 53776738
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036
(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
CID 54471029
5-methyl-N-(2-methylpropyl)thiolan-3-amine
CID 57201026
N-(2-ethylbutyl)thiolan-3-amine
CID 115718005
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318
[(3S,5S)-5-(methylsulfanylmethyl)pyrrolidin-3-yl]methanamine
CID 137447232

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine (CID 65227989) is N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine is CCCC(CN)CN(C)C1CCSC1.
What is the InChIKey of N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine?
The InChIKey is YPFYAJQWXVGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-4-10(7-12)8-13(2)11-5-6-14-9-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine?
N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 65227989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).