(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

C19H30N2O3 — CID 97364581

IUPAC(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN(Cc1ccco1)[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H30N2O3/c1-20(13-17-5-3-8-23-17)18-14-21(16-6-10-22-11-7-16)12-15-4-2-9-24-19(15)18/h3,5,8,15-16,18-19H,2,4,6-7,9-14H2,1H3/t15-,18+,19-/m0/s1
InChIKeyFEGMTQDZNQYCBN-IPELMVKDSA-N
MW334.46 g/mol
LogP2.37
Rot. Bonds4

About (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine

(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (PubChem CID 97364581) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.

Molecular Properties

Compound Name(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
PubChem CID97364581
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
SMILESCN(Cc1ccco1)[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H30N2O3/c1-20(13-17-5-3-8-23-17)18-14-21(16-6-10-22-11-7-16)12-15-4-2-9-24-19(15)18/h3,5,8,15-16,18-19H,2,4,6-7,9-14H2,1H3/t15-,18+,19-/m0/s1
InChIKeyFEGMTQDZNQYCBN-IPELMVKDSA-N
XLogP2.37
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine with MolForge

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Related Compounds

(4aS,8R,8aS)-6-(cyclopropylmethyl)-N-(furan-2-ylmethyl)-N-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97379872
[(4aS,8R,8aS)-8-[furan-2-ylmethyl(methyl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(furan-2-yl)methanone
CID 97379863
[(4aS,8R,8aS)-8-[furan-2-ylmethyl(methyl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 97379870
(3R,3aS,7aR)-N-(furan-2-ylmethyl)-N-methyl-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460479
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;2,2,2-trifluoroacetic acid
CID 171694199
(4aS,8R,8aS)-6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 127023606
(3R,3aS,7aR)-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97379111
[(4aS,8R,8aS)-8-[furan-2-ylmethyl(methyl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-2-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155831859
(3aR,7aS)-4-[furan-2-ylmethyl(methyl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 133135799
(4aS,8R,8aS)-6-cyclopentyl-N-methyl-N-(pyrimidin-5-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 155827997
(4aS,8R,8aS)-6-(furan-2-ylmethyl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine;bis(2,2,2-trifluoroacetic acid)
CID 127023604
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687

Frequently Asked Questions

What is the IUPAC name of (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The IUPAC name of (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine (CID 97364581) is (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine.
What is the SMILES notation for (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The canonical SMILES for (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is CN(Cc1ccco1)[C@@H]1CN(C2CCOCC2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
The InChIKey is FEGMTQDZNQYCBN-IPELMVKDSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-20(13-17-5-3-8-23-17)18-14-21(16-6-10-22-11-7-16)12-15-4-2-9-24-19(15)18/h3,5,8,15-16,18-19H,2,4,6-7,9-14H2,1H3/t15-,18+,19-/m0/s1.
What are the key properties of (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine?
(4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine has a molecular weight of 334.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8R,8aS)-N-(furan-2-ylmethyl)-N-methyl-6-(oxan-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine is sourced from PubChem (CID 97364581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).