N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine

C15H24N2S — CID 115244887

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
SMILESCNCC1(CNCCc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H24N2S/c1-16-11-15(8-9-15)12-17-10-7-13-3-5-14(18-2)6-4-13/h3-6,16-17H,7-12H2,1-2H3
InChIKeyFTUDBDTVBYHDHJ-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.54
Rot. Bonds8

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115244887) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID115244887
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
SMILESCNCC1(CNCCc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H24N2S/c1-16-11-15(8-9-15)12-17-10-7-13-3-5-14(18-2)6-4-13/h3-6,16-17H,7-12H2,1-2H3
InChIKeyFTUDBDTVBYHDHJ-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115202135
2-(4-methoxy-3-methylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244866
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
[2-(4-methylsulfanylphenyl)ethylamino]methanethiol
CID 115228282
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
CID 115246278
N-ethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 115206026
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine (CID 115244887) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine is CNCC1(CNCCc2ccc(SC)cc2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is FTUDBDTVBYHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-16-11-15(8-9-15)12-17-10-7-13-3-5-14(18-2)6-4-13/h3-6,16-17H,7-12H2,1-2H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 264.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115244887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).