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

C17H22N2S — CID 61433947

IUPAC2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESNCC(Cc1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H22N2S/c18-11-17(10-14-4-2-1-3-5-14)19(16-6-7-16)12-15-8-9-20-13-15/h1-5,8-9,13,16-17H,6-7,10-12,18H2
InChIKeyDSIHSIYPXNZQPC-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.28
Rot. Bonds7

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

2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 61433947) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID61433947
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESNCC(Cc1ccccc1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H22N2S/c18-11-17(10-14-4-2-1-3-5-14)19(16-6-7-16)12-15-8-9-20-13-15/h1-5,8-9,13,16-17H,6-7,10-12,18H2
InChIKeyDSIHSIYPXNZQPC-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
CID 66426893
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
1-cyclohexyl-N-cyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433657
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
N-cyclopropyl-1-(5-methylfuran-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433709
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433942
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560
2-N-cyclopropyl-1-N-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570350
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
N-cyclopropyl-1-(4-methylsulfanylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433474

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 61433947) is 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is NCC(Cc1ccccc1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is DSIHSIYPXNZQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c18-11-17(10-14-4-2-1-3-5-14)19(16-6-7-16)12-15-8-9-20-13-15/h1-5,8-9,13,16-17H,6-7,10-12,18H2.
What are the key properties of 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 286.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-3-phenyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61433947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).