1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

C19H30N2O — CID 82259825

IUPAC1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCCCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C19H30N2O/c1-4-5-6-17(20)13-15-7-8-18-16(12-15)9-10-21(18)19(22)11-14(2)3/h7-8,12,14,17H,4-6,9-11,13,20H2,1-3H3
InChIKeyGVADWPDEBOSEIM-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.68
Rot. Bonds7

About 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one

1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (PubChem CID 82259825) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
PubChem CID82259825
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
SMILESCCCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C
InChIInChI=1S/C19H30N2O/c1-4-5-6-17(20)13-15-7-8-18-16(12-15)9-10-21(18)19(22)11-14(2)3/h7-8,12,14,17H,4-6,9-11,13,20H2,1-3H3
InChIKeyGVADWPDEBOSEIM-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-aminopentyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82259881
1-[5-(2-aminobutyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259757
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
1-[5-(4-amino-1-hydroxybutyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340987
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82259940
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904
1-[5-(4-aminobutanoyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82340988
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
5-[1-(3-methylbutanoyl)-3,4-dihydro-2H-quinolin-6-yl]pentanoic acid
CID 95414286
1-[5-[2-(butylamino)propyl]-2,3-dihydroindol-1-yl]ethanone
CID 82262438
1-[5-(2-bromoacetyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one
CID 82258608

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one (CID 82259825) is 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is CCCCC(N)Cc1ccc2c(c1)CCN2C(=O)CC(C)C.
What is the InChIKey of 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
The InChIKey is GVADWPDEBOSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-6-17(20)13-15-7-8-18-16(12-15)9-10-21(18)19(22)11-14(2)3/h7-8,12,14,17H,4-6,9-11,13,20H2,1-3H3.
What are the key properties of 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one?
1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminohexyl)-2,3-dihydroindol-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 82259825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).