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

C15H22N2O — CID 114176206

IUPAC3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
SMILESCc1ccc2c(c1)C(NC(C(N)=O)C(C)C)CC2
InChIInChI=1S/C15H22N2O/c1-9(2)14(15(16)18)17-13-7-6-11-5-4-10(3)8-12(11)13/h4-5,8-9,13-14,17H,6-7H2,1-3H3,(H2,16,18)
InChIKeyVBJCWXYMWCDOMN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.08
Rot. Bonds4

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

3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide (PubChem CID 114176206) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
PubChem CID114176206
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
SMILESCc1ccc2c(c1)C(NC(C(N)=O)C(C)C)CC2
InChIInChI=1S/C15H22N2O/c1-9(2)14(15(16)18)17-13-7-6-11-5-4-10(3)8-12(11)13/h4-5,8-9,13-14,17H,6-7H2,1-3H3,(H2,16,18)
InChIKeyVBJCWXYMWCDOMN-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 81319484
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
N,4-dimethyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 81333582
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
CID 81327422
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
6-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79040850
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide (CID 114176206) is 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide is Cc1ccc2c(c1)C(NC(C(N)=O)C(C)C)CC2.
What is the InChIKey of 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
The InChIKey is VBJCWXYMWCDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)14(15(16)18)17-13-7-6-11-5-4-10(3)8-12(11)13/h4-5,8-9,13-14,17H,6-7H2,1-3H3,(H2,16,18).
What are the key properties of 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide?
3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide is sourced from PubChem (CID 114176206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).