8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde

C15H20N2O — CID 19032674

IUPAC8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde
SMILESCN(C)C1CCc2ccc3c(c2C1)N(C=O)CC3
InChIInChI=1S/C15H20N2O/c1-16(2)13-6-5-11-3-4-12-7-8-17(10-18)15(12)14(11)9-13/h3-4,10,13H,5-9H2,1-2H3
InChIKeyBPTVGNOFPJPKLW-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.62
Rot. Bonds2

About 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde

8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde (PubChem CID 19032674) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde
PubChem CID19032674
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde
SMILESCN(C)C1CCc2ccc3c(c2C1)N(C=O)CC3
InChIInChI=1S/C15H20N2O/c1-16(2)13-6-5-11-3-4-12-7-8-17(10-18)15(12)14(11)9-13/h3-4,10,13H,5-9H2,1-2H3
InChIKeyBPTVGNOFPJPKLW-UHFFFAOYSA-N
XLogP1.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15629517
(2R)-8-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 70144018
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
CID 89385300
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 58289882
N-(1-formyl-2,3-dihydroindol-7-yl)acetamide
CID 112537361
8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one
CID 88703612
(2R)-8-(cyclohepten-1-yl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 18682908
4-(dimethylamino)piperidine-1-carbaldehyde
CID 54343500
N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
CID 143888403
6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67978432
4-[[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]piperidine-1-carbaldehyde
CID 142248602
N,8-dimethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 58777905

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde?
The IUPAC name of 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde (CID 19032674) is 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde.
What is the SMILES notation for 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde?
The canonical SMILES for 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde is CN(C)C1CCc2ccc3c(c2C1)N(C=O)CC3.
What is the InChIKey of 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde?
The InChIKey is BPTVGNOFPJPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16(2)13-6-5-11-3-4-12-7-8-17(10-18)15(12)14(11)9-13/h3-4,10,13H,5-9H2,1-2H3.
What are the key properties of 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde?
8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde has a molecular weight of 244.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde is sourced from PubChem (CID 19032674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).