1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine

C18H22N2O2 — CID 90233481

IUPAC1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
SMILESCC(C)CC(N)COc1ccc2c(c1)OCc1cccnc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)8-14(19)11-21-15-5-6-16-17(9-15)22-10-13-4-3-7-20-18(13)16/h3-7,9,12,14H,8,10-11,19H2,1-2H3
InChIKeyZZGNTWDWSGINQE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds5

About 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine

1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine (PubChem CID 90233481) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
PubChem CID90233481
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
SMILESCC(C)CC(N)COc1ccc2c(c1)OCc1cccnc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)8-14(19)11-21-15-5-6-16-17(9-15)22-10-13-4-3-7-20-18(13)16/h3-7,9,12,14H,8,10-11,19H2,1-2H3
InChIKeyZZGNTWDWSGINQE-UHFFFAOYSA-N
XLogP3.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
(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
N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
CID 76985192
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
CID 10358767
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213798

Frequently Asked Questions

What is the IUPAC name of 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine?
The IUPAC name of 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine (CID 90233481) is 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine?
The canonical SMILES for 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine is CC(C)CC(N)COc1ccc2c(c1)OCc1cccnc1-2.
What is the InChIKey of 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine?
The InChIKey is ZZGNTWDWSGINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)8-14(19)11-21-15-5-6-16-17(9-15)22-10-13-4-3-7-20-18(13)16/h3-7,9,12,14H,8,10-11,19H2,1-2H3.
What are the key properties of 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine?
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine is sourced from PubChem (CID 90233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).