1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine

C19H22N2O3 — CID 141445865

IUPAC1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
SMILESCCCC(N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2
InChIInChI=1S/C19H22N2O3/c1-2-3-13(20)10-23-14-4-5-16-15-6-7-21-9-17(15)19(11-22-12-19)24-18(16)8-14/h4-9,13H,2-3,10-12,20H2,1H3
InChIKeyFAGPVIYCPDHYAZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.87
Rot. Bonds5

About 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine

1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine (PubChem CID 141445865) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine.

Molecular Properties

Compound Name1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
PubChem CID141445865
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
SMILESCCCC(N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2
InChIInChI=1S/C19H22N2O3/c1-2-3-13(20)10-23-14-4-5-16-15-6-7-21-9-17(15)19(11-22-12-19)24-18(16)8-14/h4-9,13H,2-3,10-12,20H2,1H3
InChIKeyFAGPVIYCPDHYAZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 71726646
4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 78160429
1-[[7-(2-aminopentoxy)-9H-fluoren-2-yl]oxy]pentan-2-amine
CID 71146897
1-pyridin-3-yloxypentan-2-amine
CID 117241763
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
4-methoxy-1-pyridin-3-yloxybutan-2-amine
CID 117236788
1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
CID 82189771
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893

Frequently Asked Questions

What is the IUPAC name of 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The IUPAC name of 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine (CID 141445865) is 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine.
What is the SMILES notation for 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The canonical SMILES for 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine is CCCC(N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2.
What is the InChIKey of 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The InChIKey is FAGPVIYCPDHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-3-13(20)10-23-14-4-5-16-15-6-7-21-9-17(15)19(11-22-12-19)24-18(16)8-14/h4-9,13H,2-3,10-12,20H2,1H3.
What are the key properties of 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine has a molecular weight of 326.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine is sourced from PubChem (CID 141445865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).