N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine

C18H22N2O — CID 106205442

IUPACN-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(CNC3CC3)cc(OCCC3CC3)nc2c1
InChIInChI=1S/C18H22N2O/c1-2-4-17-16(3-1)14(12-19-15-7-8-15)11-18(20-17)21-10-9-13-5-6-13/h1-4,11,13,15,19H,5-10,12H2
InChIKeyFJNOOWWAATVGDK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine

N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine (PubChem CID 106205442) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
PubChem CID106205442
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(CNC3CC3)cc(OCCC3CC3)nc2c1
InChIInChI=1S/C18H22N2O/c1-2-4-17-16(3-1)14(12-19-15-7-8-15)11-18(20-17)21-10-9-13-5-6-13/h1-4,11,13,15,19H,5-10,12H2
InChIKeyFJNOOWWAATVGDK-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,2,2-trifluoroethoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 62290092
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]cyclopropanamine
CID 114470590
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
CID 114157430
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
N-[[2-(4-chloropyrazol-1-yl)quinolin-4-yl]methyl]cyclopropanamine
CID 62294024
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine (CID 106205442) is N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine is c1ccc2c(CNC3CC3)cc(OCCC3CC3)nc2c1.
What is the InChIKey of N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine?
The InChIKey is FJNOOWWAATVGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-17-16(3-1)14(12-19-15-7-8-15)11-18(20-17)21-10-9-13-5-6-13/h1-4,11,13,15,19H,5-10,12H2.
What are the key properties of N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine?
N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopropylethoxy)quinolin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106205442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).