3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine

C14H24N2OS — CID 82718623

IUPAC3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
SMILESCC(Cc1cccs1)N(C)C1(CN)CCOC1C
InChIInChI=1S/C14H24N2OS/c1-11(9-13-5-4-8-18-13)16(3)14(10-15)6-7-17-12(14)2/h4-5,8,11-12H,6-7,9-10,15H2,1-3H3
InChIKeyMITARCAMLKMYKV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.12
Rot. Bonds5

About 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine

3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine (PubChem CID 82718623) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
PubChem CID82718623
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
SMILESCC(Cc1cccs1)N(C)C1(CN)CCOC1C
InChIInChI=1S/C14H24N2OS/c1-11(9-13-5-4-8-18-13)16(3)14(10-15)6-7-17-12(14)2/h4-5,8,11-12H,6-7,9-10,15H2,1-3H3
InChIKeyMITARCAMLKMYKV-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82718464
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
CID 79476122
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine (CID 82718623) is 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine is CC(Cc1cccs1)N(C)C1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine?
The InChIKey is MITARCAMLKMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(9-13-5-4-8-18-13)16(3)14(10-15)6-7-17-12(14)2/h4-5,8,11-12H,6-7,9-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine?
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine has a molecular weight of 268.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine is sourced from PubChem (CID 82718623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).