N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine

C18H22N2O — CID 79370953

IUPACN-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
SMILESc1cnc2c(C3OCCCC3CNC3CC3)cccc2c1
InChIInChI=1S/C18H22N2O/c1-4-13-5-2-10-19-17(13)16(7-1)18-14(6-3-11-21-18)12-20-15-8-9-15/h1-2,4-5,7,10,14-15,18,20H,3,6,8-9,11-12H2
InChIKeyXRMVFPIZTXVUEX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine

N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine (PubChem CID 79370953) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
PubChem CID79370953
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine
SMILESc1cnc2c(C3OCCCC3CNC3CC3)cccc2c1
InChIInChI=1S/C18H22N2O/c1-4-13-5-2-10-19-17(13)16(7-1)18-14(6-3-11-21-18)12-20-15-8-9-15/h1-2,4-5,7,10,14-15,18,20H,3,6,8-9,11-12H2
InChIKeyXRMVFPIZTXVUEX-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305
N-[[2-(2-methoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365291
2-quinolin-8-yloxane-3-carboxylic acid
CID 79368125
N-[[2-(4-fluoro-2-methylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365930
N-[[2-(2,4-dimethoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370940
N-[[2-(2,3-difluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
CID 79368837
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370941
[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
CID 112618787
N-[[2-(6-methoxy-3-pyridinyl)oxan-3-yl]methyl]cyclopropanamine
CID 114938990
2-quinolin-8-ylcyclohexan-1-amine
CID 81224075
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365200

Frequently Asked Questions

What is the IUPAC name of N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine (CID 79370953) is N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine is c1cnc2c(C3OCCCC3CNC3CC3)cccc2c1.
What is the InChIKey of N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine?
The InChIKey is XRMVFPIZTXVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-13-5-2-10-19-17(13)16(7-1)18-14(6-3-11-21-18)12-20-15-8-9-15/h1-2,4-5,7,10,14-15,18,20H,3,6,8-9,11-12H2.
What are the key properties of N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine?
N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-quinolin-8-yloxan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).