5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide

C15H22N2O — CID 114161832

IUPAC5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
SMILESCc1ccc2c(c1)C(NCCCCC(N)=O)CC2
InChIInChI=1S/C15H22N2O/c1-11-5-6-12-7-8-14(13(12)10-11)17-9-3-2-4-15(16)18/h5-6,10,14,17H,2-4,7-9H2,1H3,(H2,16,18)
InChIKeyYMMVSEDHBGYSSZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.23
Rot. Bonds6

About 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide

5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide (PubChem CID 114161832) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
PubChem CID114161832
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
SMILESCc1ccc2c(c1)C(NCCCCC(N)=O)CC2
InChIInChI=1S/C15H22N2O/c1-11-5-6-12-7-8-14(13(12)10-11)17-9-3-2-4-15(16)18/h5-6,10,14,17H,2-4,7-9H2,1H3,(H2,16,18)
InChIKeyYMMVSEDHBGYSSZ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781987
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 114176206
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
CID 103787790

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide?
The IUPAC name of 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide (CID 114161832) is 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide is Cc1ccc2c(c1)C(NCCCCC(N)=O)CC2.
What is the InChIKey of 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide?
The InChIKey is YMMVSEDHBGYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-12-7-8-14(13(12)10-11)17-9-3-2-4-15(16)18/h5-6,10,14,17H,2-4,7-9H2,1H3,(H2,16,18).
What are the key properties of 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide?
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide has a molecular weight of 246.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide is sourced from PubChem (CID 114161832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).