N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

C18H26N2O — CID 63377139

IUPACN-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H26N2O/c1-6-13(2)21-17-11-14(12-19-18(3,4)5)20-16-10-8-7-9-15(16)17/h7-11,13,19H,6,12H2,1-5H3
InChIKeyCINUOASMHGPENT-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds5

About N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63377139) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63377139
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H26N2O/c1-6-13(2)21-17-11-14(12-19-18(3,4)5)20-16-10-8-7-9-15(16)17/h7-11,13,19H,6,12H2,1-5H3
InChIKeyCINUOASMHGPENT-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
CID 63377178
N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
CID 102985914
N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377041
(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
2-[(tert-butylamino)methyl]-N,N-diethylquinolin-4-amine
CID 63373896
N-methyl-1-[4-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 63377132
N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine
CID 63377272
N-[(4-but-2-enoxyquinolin-2-yl)methyl]propan-2-amine
CID 76995835
2-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]methyl]propan-2-amine
CID 62290562
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055
2-(chloromethyl)-4-(1-phenylethoxy)quinoline
CID 63445964

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (CID 63377139) is N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is CCC(C)Oc1cc(CNC(C)(C)C)nc2ccccc12.
What is the InChIKey of N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is CINUOASMHGPENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-13(2)21-17-11-14(12-19-18(3,4)5)20-16-10-8-7-9-15(16)17/h7-11,13,19H,6,12H2,1-5H3.
What are the key properties of N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63377139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).