8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C17H22N2O — CID 10015980

IUPAC8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C17H22N2O/c1-3-8-19(2)14-6-4-12-5-7-16-17(15(12)9-14)13(11-20)10-18-16/h5,7,10-11,14,18H,3-4,6,8-9H2,1-2H3
InChIKeyLJZGVNXOVBOMKA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds4

About 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10015980) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10015980
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C17H22N2O/c1-3-8-19(2)14-6-4-12-5-7-16-17(15(12)9-14)13(11-20)10-18-16/h5,7,10-11,14,18H,3-4,6,8-9H2,1-2H3
InChIKeyLJZGVNXOVBOMKA-UHFFFAOYSA-N
XLogP3.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+)-Lysergic acid diethylamide
CID 5761
Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Lysergic acid amide
CID 442072
Indole-3-Carboxaldehyde
CID 10256
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
CID 638252
AM-1220, (+-)-
CID 9929889
Indole-4-carboxaldehyde
CID 333703
Indole-5-carboxamide
CID 14973220

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10015980) is 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is LJZGVNXOVBOMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-8-19(2)14-6-4-12-5-7-16-17(15(12)9-14)13(11-20)10-18-16/h5,7,10-11,14,18H,3-4,6,8-9H2,1-2H3.
What are the key properties of 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 270.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10015980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).