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

C16H25N3O — CID 79730548

IUPAC3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3O/c1-3-11(2)19-16(20)8-9-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,3-4,7-9,17H2,1-2H3,(H,19,20)
InChIKeyJPICPHRZLVFNHE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.15
Rot. Bonds6

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

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 79730548) 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-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
PubChem CID79730548
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC1CCc2cc(N)ccc21
InChIInChI=1S/C16H25N3O/c1-3-11(2)19-16(20)8-9-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,3-4,7-9,17H2,1-2H3,(H,19,20)
InChIKeyJPICPHRZLVFNHE-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
N-butan-2-yl-3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82689739
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
CID 112603522
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
N-butan-2-yl-3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide
CID 61022207

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide (CID 79730548) is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC1CCc2cc(N)ccc21.
What is the InChIKey of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is JPICPHRZLVFNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-11(2)19-16(20)8-9-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10-11,15,18H,3-4,7-9,17H2,1-2H3,(H,19,20).
What are the key properties of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide?
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 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-butan-2-ylpropanamide is sourced from PubChem (CID 79730548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).