N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine

C15H21N3 — CID 10562205

IUPACN',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-18(4-2)12-11-17-15-9-10-16-14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3,(H,16,17)
InChIKeyDPCDGNQEAIAECL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds6

About N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine

N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine (PubChem CID 10562205) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine
PubChem CID10562205
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-18(4-2)12-11-17-15-9-10-16-14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3,(H,16,17)
InChIKeyDPCDGNQEAIAECL-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroquine
CID 2719
N,N-Dimethyltryptamine
CID 6089
4-Nitroquinoline 1-Oxide
CID 5955
Quinoline
CID 7047
Gramine
CID 6890
6-Methylquinoline
CID 7059
Indalpine
CID 44668
Dequalinium
CID 2993
5-Methylquinoxaline
CID 61670
4-Methylquinoline
CID 10285
N,N-Diethyltryptamine
CID 6090
5-Aminoisoquinoline
CID 70766

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine (CID 10562205) is N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine is CCN(CC)CCNc1ccnc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine?
The InChIKey is DPCDGNQEAIAECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18(4-2)12-11-17-15-9-10-16-14-8-6-5-7-13(14)15/h5-10H,3-4,11-12H2,1-2H3,(H,16,17).
What are the key properties of N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine?
N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-quinolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 10562205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).