1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde

C13H19NO — CID 154527218

IUPAC1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde
SMILESCC(C)N1CCCC2=C1C=CC(C=O)C2
InChIInChI=1S/C13H19NO/c1-10(2)14-7-3-4-12-8-11(9-15)5-6-13(12)14/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyPWJBWWIRKCPWGI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds2

About 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde

1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde (PubChem CID 154527218) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde
PubChem CID154527218
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde
SMILESCC(C)N1CCCC2=C1C=CC(C=O)C2
InChIInChI=1S/C13H19NO/c1-10(2)14-7-3-4-12-8-11(9-15)5-6-13(12)14/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyPWJBWWIRKCPWGI-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
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

(1R,2R,9aR)-9-ethenyl-1,2,3,4,6,8-hexamethyl-2,9a-dihydroquinolizine-1-carbaldehyde
CID 135012152
2-[(5R)-5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl]acetaldehyde
CID 88953597
2-(1-But-1-en-2-ylpiperidin-2-yl)-2-cyclohexa-2,4-dien-1-ylacetaldehyde
CID 156370647
9-Butyl-6-methyl-3,4,4b,5,8,8a-hexahydrocarbazole-3-carbaldehyde
CID 163676177
(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
CID 174095582
3-[[1-Cyclohepta-1,4,6-trien-1-ylethyl(methyl)amino]methyl]-5-methylheptanal
CID 143715220
2-(2-ethyl-8-methyl-3,4,8,8a-tetrahydro-1H-isoquinolin-1-yl)acetaldehyde
CID 143866546

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde (CID 154527218) is 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde is CC(C)N1CCCC2=C1C=CC(C=O)C2.
What is the InChIKey of 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde?
The InChIKey is PWJBWWIRKCPWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-7-3-4-12-8-11(9-15)5-6-13(12)14/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde?
1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4,5,6-tetrahydro-2H-quinoline-6-carbaldehyde is sourced from PubChem (CID 154527218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).