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

C14H16N2S — CID 79741691

IUPAC1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccsc1
InChIInChI=1S/C14H16N2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-17-9-10/h2-3,5-7,9,14,16H,1,4,8,15H2
InChIKeyQQVCTLWBTQWOFF-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.11
Rot. Bonds3

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

1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741691) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741691
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccsc1
InChIInChI=1S/C14H16N2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-17-9-10/h2-3,5-7,9,14,16H,1,4,8,15H2
InChIKeyQQVCTLWBTQWOFF-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741216
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
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
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79742052
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 106038711
3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
CID 114146218

Frequently Asked Questions

What is the IUPAC name of 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79741691) is 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1ccsc1.
What is the InChIKey of 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is QQVCTLWBTQWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-12-2-3-13-11(7-12)1-4-14(13)16-8-10-5-6-17-9-10/h2-3,5-7,9,14,16H,1,4,8,15H2.
What are the key properties of 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 244.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).