3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine

C15H20N2S — CID 63774185

IUPAC3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
SMILESCCCN(CCc1cccs1)c1cccc(N)c1
InChIInChI=1S/C15H20N2S/c1-2-9-17(10-8-15-7-4-11-18-15)14-6-3-5-13(16)12-14/h3-7,11-12H,2,8-10,16H2,1H3
InChIKeyYOXKILUKCYUKEK-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.79
Rot. Bonds6

About 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine

3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine (PubChem CID 63774185) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
PubChem CID63774185
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
SMILESCCCN(CCc1cccs1)c1cccc(N)c1
InChIInChI=1S/C15H20N2S/c1-2-9-17(10-8-15-7-4-11-18-15)14-6-3-5-13(16)12-14/h3-7,11-12H,2,8-10,16H2,1H3
InChIKeyYOXKILUKCYUKEK-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
CID 65446769
3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 23404910
3-(3-amino-N-propylanilino)propane-1,2-diol
CID 82850677
1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741459
N'-(3-methoxyphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28771874
3-N-[(2-chloro-4-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 106864224

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine (CID 63774185) is 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine is CCCN(CCc1cccs1)c1cccc(N)c1.
What is the InChIKey of 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
The InChIKey is YOXKILUKCYUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-9-17(10-8-15-7-4-11-18-15)14-6-3-5-13(16)12-14/h3-7,11-12H,2,8-10,16H2,1H3.
What are the key properties of 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine?
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 63774185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).