N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine

C18H24N2O — CID 114470472

IUPACN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cc(CNC(C)C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-13(2)9-10-21-18-11-15(12-19-14(3)4)16-7-5-6-8-17(16)20-18/h5-8,11,14,19H,1,9-10,12H2,2-4H3
InChIKeyVJRSPLXIUKEMMS-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.08
Rot. Bonds7

About N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine

N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine (PubChem CID 114470472) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
PubChem CID114470472
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
SMILESC=C(C)CCOc1cc(CNC(C)C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-13(2)9-10-21-18-11-15(12-19-14(3)4)16-7-5-6-8-17(16)20-18/h5-8,11,14,19H,1,9-10,12H2,2-4H3
InChIKeyVJRSPLXIUKEMMS-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine (CID 114470472) is N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine is C=C(C)CCOc1cc(CNC(C)C)c2ccccc2n1.
What is the InChIKey of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine?
The InChIKey is VJRSPLXIUKEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)9-10-21-18-11-15(12-19-14(3)4)16-7-5-6-8-17(16)20-18/h5-8,11,14,19H,1,9-10,12H2,2-4H3.
What are the key properties of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine?
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114470472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).