2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C17H31N3S — CID 103191711

IUPAC2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc(CNC2CC2)sc1C)C(C)CN(C)C
InChIInChI=1S/C17H31N3S/c1-6-20(13(2)11-19(4)5)12-15-9-17(21-14(15)3)10-18-16-7-8-16/h9,13,16,18H,6-8,10-12H2,1-5H3
InChIKeyZRLYIBINKDIWMK-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.08
Rot. Bonds9

About 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191711) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191711
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1cc(CNC2CC2)sc1C)C(C)CN(C)C
InChIInChI=1S/C17H31N3S/c1-6-20(13(2)11-19(4)5)12-15-9-17(21-14(15)3)10-18-16-7-8-16/h9,13,16,18H,6-8,10-12H2,1-5H3
InChIKeyZRLYIBINKDIWMK-UHFFFAOYSA-N
XLogP3.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107557628
N-[[5-methyl-4-(4-methylpentoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80728948
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80734134
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719992
N-[[5-methyl-4-[[methyl(2-thiophen-2-ylethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80719555
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
N-[[4-[2-[cyclopropyl(methyl)amino]ethoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102741003
N-[[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80722854

Frequently Asked Questions

What is the IUPAC name of 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191711) is 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(Cc1cc(CNC2CC2)sc1C)C(C)CN(C)C.
What is the InChIKey of 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ZRLYIBINKDIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-20(13(2)11-19(4)5)12-15-9-17(21-14(15)3)10-18-16-7-8-16/h9,13,16,18H,6-8,10-12H2,1-5H3.
What are the key properties of 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 309.52 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).