4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine

C13H22N2OS — CID 106012094

IUPAC4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
SMILESCCc1ccc(CNCC2COCC2NC)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-4-5-12(17-11)7-15-6-10-8-16-9-13(10)14-2/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyMVBIUHVNNMIJAQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.63
Rot. Bonds6

About 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine (PubChem CID 106012094) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
PubChem CID106012094
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
SMILESCCc1ccc(CNCC2COCC2NC)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-4-5-12(17-11)7-15-6-10-8-16-9-13(10)14-2/h4-5,10,13-15H,3,6-9H2,1-2H3
InChIKeyMVBIUHVNNMIJAQ-UHFFFAOYSA-N
XLogP1.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 106012165
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-ethyloxolan-3-amine
CID 66259724
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106010999
2,5-diethylthiophene
CID 521294
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 78952231
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine (CID 106012094) is 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine is CCc1ccc(CNCC2COCC2NC)s1.
What is the InChIKey of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine?
The InChIKey is MVBIUHVNNMIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-4-5-12(17-11)7-15-6-10-8-16-9-13(10)14-2/h4-5,10,13-15H,3,6-9H2,1-2H3.
What are the key properties of 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine?
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine has a molecular weight of 254.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 106012094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).