1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine

C10H14FNS — CID 130594687

IUPAC1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1sccc1F)C1CCC1
InChIInChI=1S/C10H14FNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3
InChIKeyXDGQXTUCCPWPEL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.95
Rot. Bonds3

About 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine

1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine (PubChem CID 130594687) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
PubChem CID130594687
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1sccc1F)C1CCC1
InChIInChI=1S/C10H14FNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3
InChIKeyXDGQXTUCCPWPEL-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79987761
1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 130594674
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine (CID 130594687) is 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine is CNC(c1sccc1F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine?
The InChIKey is XDGQXTUCCPWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-12-9(7-3-2-4-7)10-8(11)5-6-13-10/h5-7,9,12H,2-4H2,1H3.
What are the key properties of 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine?
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine has a molecular weight of 199.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 130594687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).