2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide

C17H26N2O — CID 115431652

IUPAC2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,12-18)16(20)19(3)15-11-10-13-8-6-7-9-14(13)15/h6-9,15H,4-5,10-12,18H2,1-3H3
InChIKeyWKOFHKJWNLUXSG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds5

About 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide

2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide (PubChem CID 115431652) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
PubChem CID115431652
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C17H26N2O/c1-4-17(5-2,12-18)16(20)19(3)15-11-10-13-8-6-7-9-14(13)15/h6-9,15H,4-5,10-12,18H2,1-3H3
InChIKeyWKOFHKJWNLUXSG-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide 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

2-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide
CID 79809243
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
2-amino-N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 60937239
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 62855378
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
2-amino-2-cyclopropyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 60937461
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
CID 112725238

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide (CID 115431652) is 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide?
The InChIKey is WKOFHKJWNLUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-17(5-2,12-18)16(20)19(3)15-11-10-13-8-6-7-9-14(13)15/h6-9,15H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide?
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 115431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).