2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

C15H23N3O — CID 114937577

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCOc1ccc(CN2CC3CCCC(N)C3C2)cn1
InChIInChI=1S/C15H23N3O/c1-19-15-6-5-11(7-17-15)8-18-9-12-3-2-4-14(16)13(12)10-18/h5-7,12-14H,2-4,8-10,16H2,1H3
InChIKeyDPCFVNRSPPTUCG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.65
Rot. Bonds3

About 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (PubChem CID 114937577) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
PubChem CID114937577
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCOc1ccc(CN2CC3CCCC(N)C3C2)cn1
InChIInChI=1S/C15H23N3O/c1-19-15-6-5-11(7-17-15)8-18-9-12-3-2-4-14(16)13(12)10-18/h5-7,12-14H,2-4,8-10,16H2,1H3
InChIKeyDPCFVNRSPPTUCG-UHFFFAOYSA-N
XLogP1.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine with MolForge

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Related Compounds

2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120844114
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(2R)-4-[(6-methoxy-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 97045083
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (CID 114937577) is 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is COc1ccc(CN2CC3CCCC(N)C3C2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The InChIKey is DPCFVNRSPPTUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-15-6-5-11(7-17-15)8-18-9-12-3-2-4-14(16)13(12)10-18/h5-7,12-14H,2-4,8-10,16H2,1H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is sourced from PubChem (CID 114937577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).