N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine

C16H34N2S — CID 106445246

IUPACN,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CSCCN1C
InChIInChI=1S/C16H34N2S/c1-5-8-9-14(6-2)12-15(17-7-3)16-13-19-11-10-18(16)4/h14-17H,5-13H2,1-4H3
InChIKeyFXBYYWCZOJZRAZ-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.62
Rot. Bonds9

About N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine

N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine (PubChem CID 106445246) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine
PubChem CID106445246
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC NameN,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CSCCN1C
InChIInChI=1S/C16H34N2S/c1-5-8-9-14(6-2)12-15(17-7-3)16-13-19-11-10-18(16)4/h14-17H,5-13H2,1-4H3
InChIKeyFXBYYWCZOJZRAZ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79962851
1-(4-methylthiomorpholin-3-yl)nonylhydrazine
CID 106446283
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
[3-methyl-1-(4-methylthiomorpholin-3-yl)pentyl]hydrazine
CID 106446448
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
CID 106445158
3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79963234

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine (CID 106445246) is N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine is CCCCC(CC)CC(NCC)C1CSCCN1C.
What is the InChIKey of N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine?
The InChIKey is FXBYYWCZOJZRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-5-8-9-14(6-2)12-15(17-7-3)16-13-19-11-10-18(16)4/h14-17H,5-13H2,1-4H3.
What are the key properties of N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine?
N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine has a molecular weight of 286.53 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(4-methylthiomorpholin-3-yl)heptan-1-amine is sourced from PubChem (CID 106445246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).