N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide

C13H19N3O — CID 19919436

IUPACN-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide
SMILESCCCN(C=O)C1CNc2c(N)cccc2C1
InChIInChI=1S/C13H19N3O/c1-2-6-16(9-17)11-7-10-4-3-5-12(14)13(10)15-8-11/h3-5,9,11,15H,2,6-8,14H2,1H3
InChIKeyLBTWRFIUSPFQSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.47
Rot. Bonds4

About N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide

N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide (PubChem CID 19919436) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide.

Molecular Properties

Compound NameN-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide
PubChem CID19919436
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide
SMILESCCCN(C=O)C1CNc2c(N)cccc2C1
InChIInChI=1S/C13H19N3O/c1-2-6-16(9-17)11-7-10-4-3-5-12(14)13(10)15-8-11/h3-5,9,11,15H,2,6-8,14H2,1H3
InChIKeyLBTWRFIUSPFQSL-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide?
The IUPAC name of N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide (CID 19919436) is N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide.
What is the SMILES notation for N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide?
The canonical SMILES for N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide is CCCN(C=O)C1CNc2c(N)cccc2C1.
What is the InChIKey of N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide?
The InChIKey is LBTWRFIUSPFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-6-16(9-17)11-7-10-4-3-5-12(14)13(10)15-8-11/h3-5,9,11,15H,2,6-8,14H2,1H3.
What are the key properties of N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide?
N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide has a molecular weight of 233.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-1,2,3,4-tetrahydroquinolin-3-yl)-N-propylformamide is sourced from PubChem (CID 19919436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).