N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide

C15H22N2O — CID 165486516

IUPACN-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C15H22N2O/c1-3-5-10(2)15(18)17-14-9-8-11-12(14)6-4-7-13(11)16/h4,6-7,10,14H,3,5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyBDWDGQBAECABGL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds4

About N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide

N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide (PubChem CID 165486516) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
PubChem CID165486516
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCc2c(N)cccc21
InChIInChI=1S/C15H22N2O/c1-3-5-10(2)15(18)17-14-9-8-11-12(14)6-4-7-13(11)16/h4,6-7,10,14H,3,5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyBDWDGQBAECABGL-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
N-(4-amino-2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 165486716
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-4,4-dimethyl-2-(methylamino)pentanamide
CID 166235164
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 119746692

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The IUPAC name of N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide (CID 165486516) is N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide.
What is the SMILES notation for N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The canonical SMILES for N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide is CCCC(C)C(=O)NC1CCc2c(N)cccc21.
What is the InChIKey of N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
The InChIKey is BDWDGQBAECABGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-5-10(2)15(18)17-14-9-8-11-12(14)6-4-7-13(11)16/h4,6-7,10,14H,3,5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide?
N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide has a molecular weight of 246.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide is sourced from PubChem (CID 165486516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).