8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine

C19H23N3O2 — CID 138650831

IUPAC8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine
SMILESC=NC(C)CC(C)COc1ccc2c(c1)COc1c-2ccnc1N
InChIInChI=1S/C19H23N3O2/c1-12(8-13(2)21-3)10-23-15-4-5-16-14(9-15)11-24-18-17(16)6-7-22-19(18)20/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,20,22)
InChIKeyAMMNHEULDBOXSB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds6

About 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine

8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine (PubChem CID 138650831) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine.

Molecular Properties

Compound Name8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine
PubChem CID138650831
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine
SMILESC=NC(C)CC(C)COc1ccc2c(c1)COc1c-2ccnc1N
InChIInChI=1S/C19H23N3O2/c1-12(8-13(2)21-3)10-23-15-4-5-16-14(9-15)11-24-18-17(16)6-7-22-19(18)20/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,20,22)
InChIKeyAMMNHEULDBOXSB-UHFFFAOYSA-N
XLogP3.72
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324080
methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
CID 145168244
(2S)-1-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134520693
5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324038
(4S)-5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324039
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamic acid
CID 134323996
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
2-[[1-[(2-amino-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamoyl]benzoic acid
CID 134324114
N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
CID 91401843

Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine?
The IUPAC name of 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine (CID 138650831) is 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine.
What is the SMILES notation for 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine?
The canonical SMILES for 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine is C=NC(C)CC(C)COc1ccc2c(c1)COc1c-2ccnc1N.
What is the InChIKey of 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine?
The InChIKey is AMMNHEULDBOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(8-13(2)21-3)10-23-15-4-5-16-14(9-15)11-24-18-17(16)6-7-22-19(18)20/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H2,20,22).
What are the key properties of 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine?
8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine has a molecular weight of 325.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine is sourced from PubChem (CID 138650831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).