N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H28N2S — CID 106445339

IUPACN-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1CSCCN1C
InChIInChI=1S/C18H28N2S/c1-3-9-19-18(17-13-21-11-10-20(17)2)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-19H,3,9-13H2,1-2H3
InChIKeyNKGZURQXCOCOLN-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.21
Rot. Bonds6

About N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 106445339) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID106445339
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1c1ccccc1)C1CSCCN1C
InChIInChI=1S/C18H28N2S/c1-3-9-19-18(17-13-21-11-10-20(17)2)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-19H,3,9-13H2,1-2H3
InChIKeyNKGZURQXCOCOLN-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
2,2-dimethyl-1-(4-methylthiomorpholin-3-yl)-N-propylpropan-1-amine
CID 106445433
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 106445339) is N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CC1c1ccccc1)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is NKGZURQXCOCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-3-9-19-18(17-13-21-11-10-20(17)2)16-12-15(16)14-7-5-4-6-8-14/h4-8,15-19H,3,9-13H2,1-2H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 304.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 106445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).