2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine

C13H28N2S — CID 106445433

IUPAC2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CSCCN1C)C(C)(C)C
InChIInChI=1S/C13H28N2S/c1-6-7-14-12(13(2,3)4)11-10-16-9-8-15(11)5/h11-12,14H,6-10H2,1-5H3
InChIKeyAZDCAYQOVDNHEO-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.45
Rot. Bonds4

About 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine

2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine (PubChem CID 106445433) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
PubChem CID106445433
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CSCCN1C)C(C)(C)C
InChIInChI=1S/C13H28N2S/c1-6-7-14-12(13(2,3)4)11-10-16-9-8-15(11)5/h11-12,14H,6-10H2,1-5H3
InChIKeyAZDCAYQOVDNHEO-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
N,4,4-trimethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
CID 106444879
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine (CID 106445433) is 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine is CCCNC(C1CSCCN1C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine?
The InChIKey is AZDCAYQOVDNHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-6-7-14-12(13(2,3)4)11-10-16-9-8-15(11)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine?
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 106445433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).