N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine

C13H22N2S — CID 116912556

IUPACN,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
SMILESCNCC1(C(c2cccs2)N(C)C)CCC1
InChIInChI=1S/C13H22N2S/c1-14-10-13(7-5-8-13)12(15(2)3)11-6-4-9-16-11/h4,6,9,12,14H,5,7-8,10H2,1-3H3
InChIKeyFTZHNCRZRCEKHS-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine

N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine (PubChem CID 116912556) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
PubChem CID116912556
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
SMILESCNCC1(C(c2cccs2)N(C)C)CCC1
InChIInChI=1S/C13H22N2S/c1-14-10-13(7-5-8-13)12(15(2)3)11-6-4-9-16-11/h4,6,9,12,14H,5,7-8,10H2,1-3H3
InChIKeyFTZHNCRZRCEKHS-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116912949
1-[dimethylamino(thiophen-2-yl)methyl]cyclopropane-1-carbonitrile
CID 116911928
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
CID 87694662
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853
N-methyl-1-(1-thiophen-2-ylsulfonylcyclobutyl)methanamine
CID 117037507
1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclobutan-1-ol
CID 115692751
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
1-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242356
(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
CID 162770303

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine (CID 116912556) is N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine is CNCC1(C(c2cccs2)N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine?
The InChIKey is FTZHNCRZRCEKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-14-10-13(7-5-8-13)12(15(2)3)11-6-4-9-16-11/h4,6,9,12,14H,5,7-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine?
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 116912556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).