3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine

C15H21N3O — CID 112501008

IUPAC3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine
SMILESCN(C)C(CCN)COc1cccc2cccnc12
InChIInChI=1S/C15H21N3O/c1-18(2)13(8-9-16)11-19-14-7-3-5-12-6-4-10-17-15(12)14/h3-7,10,13H,8-9,11,16H2,1-2H3
InChIKeyLAVVQKOAOFOLIV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds6

About 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine

3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine (PubChem CID 112501008) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine
PubChem CID112501008
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine
SMILESCN(C)C(CCN)COc1cccc2cccnc12
InChIInChI=1S/C15H21N3O/c1-18(2)13(8-9-16)11-19-14-7-3-5-12-6-4-10-17-15(12)14/h3-7,10,13H,8-9,11,16H2,1-2H3
InChIKeyLAVVQKOAOFOLIV-UHFFFAOYSA-N
XLogP1.89
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine (CID 112501008) is 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine is CN(C)C(CCN)COc1cccc2cccnc12.
What is the InChIKey of 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine?
The InChIKey is LAVVQKOAOFOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(2)13(8-9-16)11-19-14-7-3-5-12-6-4-10-17-15(12)14/h3-7,10,13H,8-9,11,16H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine?
3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine has a molecular weight of 259.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine is sourced from PubChem (CID 112501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).