7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine

C16H18N2O — CID 81231468

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
SMILESNC(c1cccc2ncccc12)C1CC2CCC1O2
InChIInChI=1S/C16H18N2O/c17-16(13-9-10-6-7-15(13)19-10)12-3-1-5-14-11(12)4-2-8-18-14/h1-5,8,10,13,15-16H,6-7,9,17H2
InChIKeyPRAXFPRBMSCIGR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.80
Rot. Bonds2

About 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine

7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine (PubChem CID 81231468) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
PubChem CID81231468
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
SMILESNC(c1cccc2ncccc12)C1CC2CCC1O2
InChIInChI=1S/C16H18N2O/c17-16(13-9-10-6-7-15(13)19-10)12-3-1-5-14-11(12)4-2-8-18-14/h1-5,8,10,13,15-16H,6-7,9,17H2
InChIKeyPRAXFPRBMSCIGR-UHFFFAOYSA-N
XLogP2.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
(1R)-1-quinolin-5-ylethanamine
CID 55277010
7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine
CID 107330627
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
[(5-methyloxolan-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326995
6-bicyclo[3.1.0]hexanyl(quinolin-5-yl)methanol
CID 115826271
5-(1-iodoethyl)quinoline
CID 130224458
(R)-piperidin-4-yl(quinolin-4-yl)methanamine;hydrochloride
CID 171314768

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine (CID 81231468) is 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine is NC(c1cccc2ncccc12)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine?
The InChIKey is PRAXFPRBMSCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(13-9-10-6-7-15(13)19-10)12-3-1-5-14-11(12)4-2-8-18-14/h1-5,8,10,13,15-16H,6-7,9,17H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine?
7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine is sourced from PubChem (CID 81231468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).