N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine

C15H30N2S — CID 106445322

IUPACN-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CSCCN1C
InChIInChI=1S/C15H30N2S/c1-3-9-16-15(13-7-5-4-6-8-13)14-12-18-11-10-17(14)2/h13-16H,3-12H2,1-2H3
InChIKeyQLHDPACTANKWKI-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds5

About N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine

N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine (PubChem CID 106445322) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
PubChem CID106445322
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCCC1)C1CSCCN1C
InChIInChI=1S/C15H30N2S/c1-3-9-16-15(13-7-5-4-6-8-13)14-12-18-11-10-17(14)2/h13-16H,3-12H2,1-2H3
InChIKeyQLHDPACTANKWKI-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79659614
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
N-[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445254
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106445339
N-[cyclohexyl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]propan-1-amine
CID 79974439
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
[(2-ethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446318
N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
2-cyclopentyl-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595741
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine (CID 106445322) is N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine is CCCNC(C1CCCCC1)C1CSCCN1C.
What is the InChIKey of N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine?
The InChIKey is QLHDPACTANKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-9-16-15(13-7-5-4-6-8-13)14-12-18-11-10-17(14)2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine?
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106445322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).