1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine

C16H28N2S — CID 103563049

IUPAC1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(C)C1CC(CN)(N(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C16H28N2S/c1-12(2)14-9-16(10-14,11-17)18(4)13(3)8-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3
InChIKeyOQJUGRKHUYVPLH-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.37
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine

1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 103563049) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID103563049
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(C)C1CC(CN)(N(C)C(C)Cc2cccs2)C1
InChIInChI=1S/C16H28N2S/c1-12(2)14-9-16(10-14,11-17)18(4)13(3)8-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3
InChIKeyOQJUGRKHUYVPLH-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
CID 79476122
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
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
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
1-(aminomethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
3-ethoxy-2,2-dimethyl-1-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclobutan-1-amine
CID 114830687

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine (CID 103563049) is 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine is CC(C)C1CC(CN)(N(C)C(C)Cc2cccs2)C1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is OQJUGRKHUYVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12(2)14-9-16(10-14,11-17)18(4)13(3)8-15-6-5-7-19-15/h5-7,12-14H,8-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine?
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103563049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).