1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one

C21H32N2O — CID 19096260

IUPAC1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)C1Cc2c(C(=O)C(C)C)ccc3c2C(CN3)C1
InChIInChI=1S/C21H32N2O/c1-5-9-23(10-6-2)16-11-15-13-22-19-8-7-17(21(24)14(3)4)18(12-16)20(15)19/h7-8,14-16,22H,5-6,9-13H2,1-4H3
InChIKeySZUOHKWNGBCZKP-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.47
Rot. Bonds7

About 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one

1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one (PubChem CID 19096260) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
PubChem CID19096260
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)C1Cc2c(C(=O)C(C)C)ccc3c2C(CN3)C1
InChIInChI=1S/C21H32N2O/c1-5-9-23(10-6-2)16-11-15-13-22-19-8-7-17(21(24)14(3)4)18(12-16)20(15)19/h7-8,14-16,22H,5-6,9-13H2,1-4H3
InChIKeySZUOHKWNGBCZKP-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[(2aR,4R)-4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone
CID 18652839
4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370400
4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370393
6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19069120
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956170
(2aS,4R)-N,N-dipropyl-6-pyrazin-2-yl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 70341667
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
[(2aR,4R)-4-(dipropylamino)-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]-phenylmethanone
CID 15712475
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
1-[4-(dipropylamino)-1-tri(propan-2-yl)silyl-4,5-dihydro-3H-benzo[cd]indol-6-yl]ethanone
CID 19750803

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one (CID 19096260) is 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one is CCCN(CCC)C1Cc2c(C(=O)C(C)C)ccc3c2C(CN3)C1.
What is the InChIKey of 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The InChIKey is SZUOHKWNGBCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-5-9-23(10-6-2)16-11-15-13-22-19-8-7-17(21(24)14(3)4)18(12-16)20(15)19/h7-8,14-16,22H,5-6,9-13H2,1-4H3.
What are the key properties of 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one has a molecular weight of 328.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one is sourced from PubChem (CID 19096260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).