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

C16H29N3S — CID 107557628

IUPAC2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccc(CNC2CC2)s1)C(C)CN(C)C
InChIInChI=1S/C16H29N3S/c1-5-19(13(2)11-18(3)4)12-16-9-8-15(20-16)10-17-14-6-7-14/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyCNUZJSRVTDSINJ-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.77
Rot. Bonds9

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

2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 107557628) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID107557628
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(Cc1ccc(CNC2CC2)s1)C(C)CN(C)C
InChIInChI=1S/C16H29N3S/c1-5-19(13(2)11-18(3)4)12-16-9-8-15(20-16)10-17-14-6-7-14/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyCNUZJSRVTDSINJ-UHFFFAOYSA-N
XLogP2.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-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]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191711
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555762
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
CID 107556404
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074401
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
2-N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191382

Frequently Asked Questions

What is the IUPAC name of 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 107557628) is 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(Cc1ccc(CNC2CC2)s1)C(C)CN(C)C.
What is the InChIKey of 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is CNUZJSRVTDSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-19(13(2)11-18(3)4)12-16-9-8-15(20-16)10-17-14-6-7-14/h8-9,13-14,17H,5-7,10-12H2,1-4H3.
What are the key properties of 2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 295.50 g/mol, XLogP of 2.77, 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]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 107557628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).