N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C17H22N2S — CID 62563786

IUPACN'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESc1ccc(NCCCN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-5-16(6-3-1)18-10-4-11-19(17-7-8-17)13-15-9-12-20-14-15/h1-3,5-6,9,12,14,17-18H,4,7-8,10-11,13H2
InChIKeyDFPYGPISAOISQC-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.21
Rot. Bonds8

About N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62563786) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62563786
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESc1ccc(NCCCN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-5-16(6-3-1)18-10-4-11-19(17-7-8-17)13-15-9-12-20-14-15/h1-3,5-6,9,12,14,17-18H,4,7-8,10-11,13H2
InChIKeyDFPYGPISAOISQC-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570350
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62563786) is N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is c1ccc(NCCCN(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is DFPYGPISAOISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-5-16(6-3-1)18-10-4-11-19(17-7-8-17)13-15-9-12-20-14-15/h1-3,5-6,9,12,14,17-18H,4,7-8,10-11,13H2.
What are the key properties of N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 286.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62563786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).