3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine

C11H18N2S — CID 115214158

IUPAC3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCN(Cc1cccs1)CC1CC(N)C1
InChIInChI=1S/C11H18N2S/c1-13(7-9-5-10(12)6-9)8-11-3-2-4-14-11/h2-4,9-10H,5-8,12H2,1H3
InChIKeyXLVHDGYJWUOUTH-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.92
Rot. Bonds4

About 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine

3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (PubChem CID 115214158) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
PubChem CID115214158
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
SMILESCN(Cc1cccs1)CC1CC(N)C1
InChIInChI=1S/C11H18N2S/c1-13(7-9-5-10(12)6-9)8-11-3-2-4-14-11/h2-4,9-10H,5-8,12H2,1H3
InChIKeyXLVHDGYJWUOUTH-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 114421220
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62420415

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine (CID 115214158) is 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is CN(Cc1cccs1)CC1CC(N)C1.
What is the InChIKey of 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
The InChIKey is XLVHDGYJWUOUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-13(7-9-5-10(12)6-9)8-11-3-2-4-14-11/h2-4,9-10H,5-8,12H2,1H3.
What are the key properties of 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine?
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).