N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

C18H24N2O — CID 63377041

IUPACN-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCOc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H24N2O/c1-5-6-11-21-17-12-14(13-19-18(2,3)4)20-16-10-8-7-9-15(16)17/h5,7-10,12,19H,1,6,11,13H2,2-4H3
InChIKeyFUNFDENVOKGQDC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.08
Rot. Bonds6

About N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine

N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63377041) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63377041
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCOc1cc(CNC(C)(C)C)nc2ccccc12
InChIInChI=1S/C18H24N2O/c1-5-6-11-21-17-12-14(13-19-18(2,3)4)20-16-10-8-7-9-15(16)17/h5,7-10,12,19H,1,6,11,13H2,2-4H3
InChIKeyFUNFDENVOKGQDC-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine (CID 63377041) is N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is C=CCCOc1cc(CNC(C)(C)C)nc2ccccc12.
What is the InChIKey of N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is FUNFDENVOKGQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-6-11-21-17-12-14(13-19-18(2,3)4)20-16-10-8-7-9-15(16)17/h5,7-10,12,19H,1,6,11,13H2,2-4H3.
What are the key properties of N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63377041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).