N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

C15H23N3 — CID 117062220

IUPACN'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1=CCNc2ccccc21
InChIInChI=1S/C15H23N3/c1-17(2)10-11-18(3)12-13-8-9-16-15-7-5-4-6-14(13)15/h4-8,16H,9-12H2,1-3H3
InChIKeyDMSMYRLHTXAJKG-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.99
Rot. Bonds5

About N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 117062220) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID117062220
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CC1=CCNc2ccccc21
InChIInChI=1S/C15H23N3/c1-17(2)10-11-18(3)12-13-8-9-16-15-7-5-4-6-14(13)15/h4-8,16H,9-12H2,1-3H3
InChIKeyDMSMYRLHTXAJKG-UHFFFAOYSA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 117062220) is N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CC1=CCNc2ccccc21.
What is the InChIKey of N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DMSMYRLHTXAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17(2)10-11-18(3)12-13-8-9-16-15-7-5-4-6-14(13)15/h4-8,16H,9-12H2,1-3H3.
What are the key properties of N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 117062220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).