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

C18H22N2O — CID 114470590

IUPACN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESC=C(C)CCOc1cc(CNC2CC2)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-13(2)9-10-21-18-11-14(12-19-15-7-8-15)16-5-3-4-6-17(16)20-18/h3-6,11,15,19H,1,7-10,12H2,2H3
InChIKeyUYEBYNRCHMMIFP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.83
Rot. Bonds7

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

N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine (PubChem CID 114470590) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
PubChem CID114470590
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESC=C(C)CCOc1cc(CNC2CC2)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-13(2)9-10-21-18-11-14(12-19-15-7-8-15)16-5-3-4-6-17(16)20-18/h3-6,11,15,19H,1,7-10,12H2,2H3
InChIKeyUYEBYNRCHMMIFP-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methylbut-3-enoxy)quinolin-4-yl]methanol
CID 114470405
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
CID 114470472
N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 106205442
N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 62290092
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
N-[[3-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471427

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine (CID 114470590) is N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine is C=C(C)CCOc1cc(CNC2CC2)c2ccccc2n1.
What is the InChIKey of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine?
The InChIKey is UYEBYNRCHMMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)9-10-21-18-11-14(12-19-15-7-8-15)16-5-3-4-6-17(16)20-18/h3-6,11,15,19H,1,7-10,12H2,2H3.
What are the key properties of N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine?
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.83, 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]cyclopropanamine is sourced from PubChem (CID 114470590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).