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

C15H23N3O — CID 106275626

IUPAC3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CC(N)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,14(19)17-3)9-18-13-8-12(16)10-6-4-5-7-11(10)13/h4-7,12-13,18H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyLHQNFPUNPIFJIY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.49
Rot. Bonds4

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

3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275626) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275626
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC1CC(N)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,14(19)17-3)9-18-13-8-12(16)10-6-4-5-7-11(10)13/h4-7,12-13,18H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyLHQNFPUNPIFJIY-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide (CID 106275626) is 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC1CC(N)c2ccccc21.
What is the InChIKey of 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is LHQNFPUNPIFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,14(19)17-3)9-18-13-8-12(16)10-6-4-5-7-11(10)13/h4-7,12-13,18H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide?
3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).