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

C16H20N2S — CID 79741459

IUPAC1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(CCc1cccs1)C1CCc2cc(N)ccc21
InChIInChI=1S/C16H20N2S/c1-18(9-8-14-3-2-10-19-14)16-7-4-12-11-13(17)5-6-15(12)16/h2-3,5-6,10-11,16H,4,7-9,17H2,1H3
InChIKeyKSLJRRQFTJOXAV-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.49
Rot. Bonds4

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

1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741459) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741459
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(CCc1cccs1)C1CCc2cc(N)ccc21
InChIInChI=1S/C16H20N2S/c1-18(9-8-14-3-2-10-19-14)16-7-4-12-11-13(17)5-6-15(12)16/h2-3,5-6,10-11,16H,4,7-9,17H2,1H3
InChIKeyKSLJRRQFTJOXAV-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.49
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

1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741442
N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 54241547
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742002
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876305
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 63774185
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
1-N-(2-methoxyethyl)-1-N-propan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 82965925
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79741459) is 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine is CN(CCc1cccs1)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KSLJRRQFTJOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-18(9-8-14-3-2-10-19-14)16-7-4-12-11-13(17)5-6-15(12)16/h2-3,5-6,10-11,16H,4,7-9,17H2,1H3.
What are the key properties of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 272.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).