1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine

C15H18N2S — CID 79741216

IUPAC1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1ccsc1
InChIInChI=1S/C15H18N2S/c16-13-2-3-14-12(9-13)1-4-15(14)17-7-5-11-6-8-18-10-11/h2-3,6,8-10,15,17H,1,4-5,7,16H2
InChIKeyKYINMAAVLHUMLB-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.15
Rot. Bonds4

About 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741216) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741216
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCc1ccsc1
InChIInChI=1S/C15H18N2S/c16-13-2-3-14-12(9-13)1-4-15(14)17-7-5-11-6-8-18-10-11/h2-3,6,8-10,15,17H,1,4-5,7,16H2
InChIKeyKYINMAAVLHUMLB-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741691
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405
1-N-(3-ethenoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724299
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741947
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79741216) is 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCc1ccsc1.
What is the InChIKey of 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KYINMAAVLHUMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-13-2-3-14-12(9-13)1-4-15(14)17-7-5-11-6-8-18-10-11/h2-3,6,8-10,15,17H,1,4-5,7,16H2.
What are the key properties of 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 258.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).