4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine

C17H25N3O — CID 156777884

IUPAC4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
SMILESCCOC[C@@H](Nc1c(N)cnc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-5-21-11-15(17(2,3)4)20-16-12-8-6-7-9-14(12)19-10-13(16)18/h6-10,15H,5,11,18H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyZYRBGWBIBFOJAX-OAHLLOKOSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds5

About 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine

4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine (PubChem CID 156777884) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
PubChem CID156777884
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
SMILESCCOC[C@@H](Nc1c(N)cnc2ccccc12)C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-5-21-11-15(17(2,3)4)20-16-12-8-6-7-9-14(12)19-10-13(16)18/h6-10,15H,5,11,18H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyZYRBGWBIBFOJAX-OAHLLOKOSA-N
XLogP3.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylbutan-2-yl]quinoline-3,4-diamine
CID 86624120
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
CID 106217212
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine (CID 156777884) is 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine is CCOC[C@@H](Nc1c(N)cnc2ccccc12)C(C)(C)C.
What is the InChIKey of 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine?
The InChIKey is ZYRBGWBIBFOJAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-21-11-15(17(2,3)4)20-16-12-8-6-7-9-14(12)19-10-13(16)18/h6-10,15H,5,11,18H2,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine?
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine is sourced from PubChem (CID 156777884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).