1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone

C20H28N2O — CID 19041535

IUPAC1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
SMILESCCCN(CCC)C1CCc2c(ccc3[nH]cc(C(C)=O)c23)C1
InChIInChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-7-8-17-15(12-16)6-9-19-20(17)18(13-21-19)14(3)23/h6,9,13,16,21H,4-5,7-8,10-12H2,1-3H3
InChIKeyTVVFGTUICQARJS-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.35
Rot. Bonds6

About 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone

1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone (PubChem CID 19041535) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
PubChem CID19041535
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
SMILESCCCN(CCC)C1CCc2c(ccc3[nH]cc(C(C)=O)c23)C1
InChIInChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-7-8-17-15(12-16)6-9-19-20(17)18(13-21-19)14(3)23/h6,9,13,16,21H,4-5,7-8,10-12H2,1-3H3
InChIKeyTVVFGTUICQARJS-UHFFFAOYSA-N
XLogP4.35
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
7-(dipropylamino)-6,7,8,9-tetrahydro-1H-benzo[g]indole-3-carbaldehyde
CID 19041549
N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836520
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
(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
N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 19041512
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897

Frequently Asked Questions

What is the IUPAC name of 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone?
The IUPAC name of 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone (CID 19041535) is 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone.
What is the SMILES notation for 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone?
The canonical SMILES for 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone is CCCN(CCC)C1CCc2c(ccc3[nH]cc(C(C)=O)c23)C1.
What is the InChIKey of 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone?
The InChIKey is TVVFGTUICQARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-7-8-17-15(12-16)6-9-19-20(17)18(13-21-19)14(3)23/h6,9,13,16,21H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone?
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone has a molecular weight of 312.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone is sourced from PubChem (CID 19041535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).