2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine

C17H22N2S — CID 62570350

IUPAC2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNc1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H22N2S/c1-14(11-18-16-5-3-2-4-6-16)19(17-7-8-17)12-15-9-10-20-13-15/h2-6,9-10,13-14,17-18H,7-8,11-12H2,1H3
InChIKeyUBMRZDDYIALHKI-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.21
Rot. Bonds7

About 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine

2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 62570350) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID62570350
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNc1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H22N2S/c1-14(11-18-16-5-3-2-4-6-16)19(17-7-8-17)12-15-9-10-20-13-15/h2-6,9-10,13-14,17-18H,7-8,11-12H2,1H3
InChIKeyUBMRZDDYIALHKI-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-N-cyclopropyl-1-N-propan-2-yl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62436808
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 55072560
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 61433947
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 61434663
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 62570350) is 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is CC(CNc1ccccc1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is UBMRZDDYIALHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14(11-18-16-5-3-2-4-6-16)19(17-7-8-17)12-15-9-10-20-13-15/h2-6,9-10,13-14,17-18H,7-8,11-12H2,1H3.
What are the key properties of 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 286.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62570350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).