N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

C14H24N2OS — CID 79486442

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)CC1(CN)CCOC1
InChIInChI=1S/C14H24N2OS/c1-12(8-13-4-3-7-18-13)16(2)10-14(9-15)5-6-17-11-14/h3-4,7,12H,5-6,8-11,15H2,1-2H3
InChIKeyMZKJGXHIAKOZJC-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.98
Rot. Bonds6

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (PubChem CID 79486442) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
PubChem CID79486442
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)N(C)CC1(CN)CCOC1
InChIInChI=1S/C14H24N2OS/c1-12(8-13-4-3-7-18-13)16(2)10-14(9-15)5-6-17-11-14/h3-4,7,12H,5-6,8-11,15H2,1-2H3
InChIKeyMZKJGXHIAKOZJC-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62257645
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79488254
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 62986113
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62257623
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine (CID 79486442) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)N(C)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
The InChIKey is MZKJGXHIAKOZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(8-13-4-3-7-18-13)16(2)10-14(9-15)5-6-17-11-14/h3-4,7,12H,5-6,8-11,15H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79486442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).