N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine

C12H22N2OS — CID 107557246

IUPACN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1ccc(CN)s1
InChIInChI=1S/C12H22N2OS/c1-10(2)15-7-6-14(3)9-12-5-4-11(8-13)16-12/h4-5,10H,6-9,13H2,1-3H3
InChIKeyWFWREJHOFFBVMV-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.06
Rot. Bonds7

About N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 107557246) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
PubChem CID107557246
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1ccc(CN)s1
InChIInChI=1S/C12H22N2OS/c1-10(2)15-7-6-14(3)9-12-5-4-11(8-13)16-12/h4-5,10H,6-9,13H2,1-3H3
InChIKeyWFWREJHOFFBVMV-UHFFFAOYSA-N
XLogP2.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558122
4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 81062537
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
6-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridin-2-amine
CID 81074389
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
3-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 81061798
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethoxy]ethanamine
CID 79478506

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine (CID 107557246) is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine is CC(C)OCCN(C)Cc1ccc(CN)s1.
What is the InChIKey of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is WFWREJHOFFBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(2)15-7-6-14(3)9-12-5-4-11(8-13)16-12/h4-5,10H,6-9,13H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 242.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 107557246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).