N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine

C17H25N3 — CID 63229161

IUPACN'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1nc2ccccc2cc1C
InChIInChI=1S/C17H25N3/c1-5-20(11-10-18-13(2)3)17-14(4)12-15-8-6-7-9-16(15)19-17/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyMGPZQFVAUNJXGA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.37
Rot. Bonds6

About N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine

N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 63229161) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID63229161
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1nc2ccccc2cc1C
InChIInChI=1S/C17H25N3/c1-5-20(11-10-18-13(2)3)17-14(4)12-15-8-6-7-9-16(15)19-17/h6-9,12-13,18H,5,10-11H2,1-4H3
InChIKeyMGPZQFVAUNJXGA-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine (CID 63229161) is N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1nc2ccccc2cc1C.
What is the InChIKey of N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is MGPZQFVAUNJXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-20(11-10-18-13(2)3)17-14(4)12-15-8-6-7-9-16(15)19-17/h6-9,12-13,18H,5,10-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine?
N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63229161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).