N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine

C14H20N2 — CID 152646818

IUPACN,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine
SMILESCCN(CC)c1ccc2c(c1)NCC=C2C
InChIInChI=1S/C14H20N2/c1-4-16(5-2)12-6-7-13-11(3)8-9-15-14(13)10-12/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyZGSGECDELVHICH-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.36
Rot. Bonds3

About N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine

N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine (PubChem CID 152646818) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine
PubChem CID152646818
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine
SMILESCCN(CC)c1ccc2c(c1)NCC=C2C
InChIInChI=1S/C14H20N2/c1-4-16(5-2)12-6-7-13-11(3)8-9-15-14(13)10-12/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyZGSGECDELVHICH-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine?
The IUPAC name of N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine (CID 152646818) is N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine.
What is the SMILES notation for N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine?
The canonical SMILES for N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine is CCN(CC)c1ccc2c(c1)NCC=C2C.
What is the InChIKey of N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine?
The InChIKey is ZGSGECDELVHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-16(5-2)12-6-7-13-11(3)8-9-15-14(13)10-12/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine?
N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine has a molecular weight of 216.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-1,2-dihydroquinolin-7-amine is sourced from PubChem (CID 152646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).