N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline

C17H22N2S — CID 107556404

IUPACN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C17H22N2S/c1-13-5-3-4-6-17(13)19(2)12-16-10-9-15(20-16)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3
InChIKeyNHGLIKJZTKHZSN-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.94
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline

N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline (PubChem CID 107556404) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
PubChem CID107556404
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
SMILESCc1ccccc1N(C)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C17H22N2S/c1-13-5-3-4-6-17(13)19(2)12-16-10-9-15(20-16)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3
InChIKeyNHGLIKJZTKHZSN-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline with MolForge

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Related Compounds

N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555762
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107557628
N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
CID 81248839
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline (CID 107556404) is N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline is Cc1ccccc1N(C)Cc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline?
The InChIKey is NHGLIKJZTKHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-5-3-4-6-17(13)19(2)12-16-10-9-15(20-16)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline?
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline has a molecular weight of 286.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline is sourced from PubChem (CID 107556404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).