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

C20H24N2O3 — CID 71726646

IUPAC(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2
InChIInChI=1S/C20H24N2O3/c1-13(2)7-14(21)10-24-15-3-4-17-16-5-6-22-9-18(16)20(11-23-12-20)25-19(17)8-15/h3-6,8-9,13-14H,7,10-12,21H2,1-2H3/t14-/m0/s1
InChIKeyVJTXVIZKKXZYSX-AWEZNQCLSA-N
MW340.42 g/mol
LogP3.12
Rot. Bonds5

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

(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine (PubChem CID 71726646) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
PubChem CID71726646
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2
InChIInChI=1S/C20H24N2O3/c1-13(2)7-14(21)10-24-15-3-4-17-16-5-6-22-9-18(16)20(11-23-12-20)25-19(17)8-15/h3-6,8-9,13-14H,7,10-12,21H2,1-2H3/t14-/m0/s1
InChIKeyVJTXVIZKKXZYSX-AWEZNQCLSA-N
XLogP3.12
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 78160429
1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 141445865
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
CID 134520680
(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
CID 71726889
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
CID 90233211
8-[(2S)-2-amino-4-methylpentoxy]chromeno[3,4-c]pyridin-5-one;methyl 4-chloropyridine-3-carboxylate
CID 159359387

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine (CID 71726646) is (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine is CC(C)C[C@H](N)COc1ccc2c(c1)OC1(COC1)c1cnccc1-2.
What is the InChIKey of (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
The InChIKey is VJTXVIZKKXZYSX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)7-14(21)10-24-15-3-4-17-16-5-6-22-9-18(16)20(11-23-12-20)25-19(17)8-15/h3-6,8-9,13-14H,7,10-12,21H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine?
(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine has a molecular weight of 340.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine is sourced from PubChem (CID 71726646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).