2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide

C14H21N3O — CID 79741077

IUPAC2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C1CCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-3-17(9-14(18)16-2)13-7-4-10-8-11(15)5-6-12(10)13/h5-6,8,13H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyDSVXVJNDERAXNL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.32
Rot. Bonds4

About 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide (PubChem CID 79741077) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide
PubChem CID79741077
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C1CCc2cc(N)ccc21
InChIInChI=1S/C14H21N3O/c1-3-17(9-14(18)16-2)13-7-4-10-8-11(15)5-6-12(10)13/h5-6,8,13H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyDSVXVJNDERAXNL-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.32
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-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742169
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
1-N-propan-2-yl-1-N-propyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742171
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 107685011
1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741538
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275433
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 81063269
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)-(2-methylpropyl)amino]propanenitrile
CID 79742184
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741442
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide (CID 79741077) is 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C1CCc2cc(N)ccc21.
What is the InChIKey of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide?
The InChIKey is DSVXVJNDERAXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(9-14(18)16-2)13-7-4-10-8-11(15)5-6-12(10)13/h5-6,8,13H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide?
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 79741077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).