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

C21H30N2O — CID 19750794

IUPAC1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(C(=O)C(C)C)c(c23)C1
InChIInChI=1S/C21H30N2O/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/h7-8,13-14,16,22H,5-6,9-12H2,1-4H3
InChIKeyGCAZALMXGZXFKV-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.60
Rot. Bonds7

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

1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one (PubChem CID 19750794) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
PubChem CID19750794
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
SMILESCCCN(CCC)C1Cc2c[nH]c3ccc(C(=O)C(C)C)c(c23)C1
InChIInChI=1S/C21H30N2O/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/h7-8,13-14,16,22H,5-6,9-12H2,1-4H3
InChIKeyGCAZALMXGZXFKV-UHFFFAOYSA-N
XLogP4.60
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
CID 23358101
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
4-[methyl(propan-2-yl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358087
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
CID 19041535
1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19096260
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
CID 13356525

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one (CID 19750794) is 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one is CCCN(CCC)C1Cc2c[nH]c3ccc(C(=O)C(C)C)c(c23)C1.
What is the InChIKey of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
The InChIKey is GCAZALMXGZXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/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/h7-8,13-14,16,22H,5-6,9-12H2,1-4H3.
What are the key properties of 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one?
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one has a molecular weight of 326.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one is sourced from PubChem (CID 19750794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).