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

C16H25N3O — CID 79731461

IUPAC3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10,17H2,1-2H3
InChIKeyOBXNHJIBCHUBBW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.10
Rot. Bonds6

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

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (PubChem CID 79731461) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
PubChem CID79731461
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10,17H2,1-2H3
InChIKeyOBXNHJIBCHUBBW-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.10
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

3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
3-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 61069531
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107245207
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275433
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide (CID 79731461) is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCc2cc(N)ccc21.
What is the InChIKey of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
The InChIKey is OBXNHJIBCHUBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)16(20)9-10-18-15-8-5-12-11-13(17)6-7-14(12)15/h6-7,11,15,18H,3-5,8-10,17H2,1-2H3.
What are the key properties of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide?
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 79731461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).