1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one

C15H24N2O — CID 70591820

IUPAC1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one
SMILESCCCNCCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C15H24N2O/c1-3-8-16-9-7-13(18)14-11(2)4-5-12-6-10-17-15(12)14/h4-5,11,14,16-17H,3,6-10H2,1-2H3
InChIKeyRCBJOSVQHSEZAT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.01
Rot. Bonds6

About 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one

1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one (PubChem CID 70591820) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one
PubChem CID70591820
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one
SMILESCCCNCCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C15H24N2O/c1-3-8-16-9-7-13(18)14-11(2)4-5-12-6-10-17-15(12)14/h4-5,11,14,16-17H,3,6-10H2,1-2H3
InChIKeyRCBJOSVQHSEZAT-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one with MolForge

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Related Compounds

(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one
CID 164671295
5-(aminomethyl)-2-piperidin-3-yl-3a,5-dihydro-3H-isoindol-4-one
CID 67369722
2-piperidin-4-yl-3a,5-dihydro-3H-isoindol-4-one
CID 67754228
1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone
CID 70572792
2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70591214
N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
CID 70591221
3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591226
4-chloro-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)butan-1-one
CID 70591290
3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591500
2-(methylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
CID 70591562
3-(diethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591594
3-bromo-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591629

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one?
The IUPAC name of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one (CID 70591820) is 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one.
What is the SMILES notation for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one?
The canonical SMILES for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one is CCCNCCC(=O)C1C2=C(C=CC1C)CCN2.
What is the InChIKey of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one?
The InChIKey is RCBJOSVQHSEZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-8-16-9-7-13(18)14-11(2)4-5-12-6-10-17-15(12)14/h4-5,11,14,16-17H,3,6-10H2,1-2H3.
What are the key properties of 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one?
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one has a molecular weight of 248.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one is sourced from PubChem (CID 70591820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).