N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine

C14H19N3 — CID 719843

IUPACN',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-11-10-14(15-8-9-17(2)3)12-6-4-5-7-13(12)16-11/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyXZVPWONUXVMZNE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds4

About N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 719843) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
PubChem CID719843
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-11-10-14(15-8-9-17(2)3)12-6-4-5-7-13(12)16-11/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyXZVPWONUXVMZNE-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine (CID 719843) is N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine is Cc1cc(NCCN(C)C)c2ccccc2n1.
What is the InChIKey of N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is XZVPWONUXVMZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-10-14(15-8-9-17(2)3)12-6-4-5-7-13(12)16-11/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 719843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).