[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine

C14H28N2OS — CID 79958027

IUPAC[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
SMILESCCC1COCCN1C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H28N2OS/c1-4-12-7-17-6-5-16(12)14(9-15)8-13(2,3)10-18-11-14/h12H,4-11,15H2,1-3H3
InChIKeyCIIPOORQSMIWTL-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.96
Rot. Bonds3

About [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine

[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine (PubChem CID 79958027) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
PubChem CID79958027
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
SMILESCCC1COCCN1C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H28N2OS/c1-4-12-7-17-6-5-16(12)14(9-15)8-13(2,3)10-18-11-14/h12H,4-11,15H2,1-3H3
InChIKeyCIIPOORQSMIWTL-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
CID 79950103
[1-(3-ethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43613015
[1-ethyl-4-(3-ethylmorpholin-4-yl)piperidin-4-yl]methanamine
CID 43613025
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321303
[2-(3-ethylmorpholin-4-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809109
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[5,5-dimethyl-3-(3-methylsulfonylthiomorpholin-4-yl)thian-3-yl]methanamine
CID 79957961
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958923
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109
[3-(4-ethylpiperidin-1-yl)thietan-3-yl]methanamine
CID 131218756

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine?
The IUPAC name of [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine (CID 79958027) is [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine?
The canonical SMILES for [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine is CCC1COCCN1C1(CN)CSCC(C)(C)C1.
What is the InChIKey of [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine?
The InChIKey is CIIPOORQSMIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-12-7-17-6-5-16(12)14(9-15)8-13(2,3)10-18-11-14/h12H,4-11,15H2,1-3H3.
What are the key properties of [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine?
[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine has a molecular weight of 272.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine is sourced from PubChem (CID 79958027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).