N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine

C17H22N2O — CID 65330638

IUPACN-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CCOC1
InChIInChI=1S/C17H22N2O/c1-2-8-18-17(14-7-9-20-12-14)15-10-13-5-3-4-6-16(13)19-11-15/h3-6,10-11,14,17-18H,2,7-9,12H2,1H3
InChIKeyKSZDTRBVFBBSKK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds5

About N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine

N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine (PubChem CID 65330638) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
PubChem CID65330638
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C1CCOC1
InChIInChI=1S/C17H22N2O/c1-2-8-18-17(14-7-9-20-12-14)15-10-13-5-3-4-6-16(13)19-11-15/h3-6,10-11,14,17-18H,2,7-9,12H2,1H3
InChIKeyKSZDTRBVFBBSKK-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-4-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65334716
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
[oxolan-3-yl(quinolin-3-yl)methyl]hydrazine
CID 105229396
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[oxan-3-yl(quinoxalin-6-yl)methyl]propan-1-amine
CID 107136382
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine (CID 65330638) is N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine is CCCNC(c1cnc2ccccc2c1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine?
The InChIKey is KSZDTRBVFBBSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-8-18-17(14-7-9-20-12-14)15-10-13-5-3-4-6-16(13)19-11-15/h3-6,10-11,14,17-18H,2,7-9,12H2,1H3.
What are the key properties of N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine?
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65330638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).