2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine

C17H25N3O — CID 115485824

IUPAC2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
SMILESCCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyPLURDPHOSAGSEF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine

2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine (PubChem CID 115485824) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
PubChem CID115485824
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
SMILESCCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19)
InChIKeyPLURDPHOSAGSEF-UHFFFAOYSA-N
XLogP3.06
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
CID 115485727
6-[[butan-2-yl(2-methoxyethyl)amino]methyl]pyridin-2-amine
CID 79244015
3-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-2-amine
CID 62209123
2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
CID 115485707
2-(methoxymethyl)quinolin-4-amine
CID 62320068
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
CID 113319911
2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
CID 112661176
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)quinolin-4-amine
CID 63375126
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115485894
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 66390190

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine (CID 115485824) is 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine is CCC(C)N(CCOC)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
The InChIKey is PLURDPHOSAGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13(2)20(9-10-21-3)12-14-11-16(18)15-7-5-6-8-17(15)19-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H2,18,19).
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine?
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).