(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

C14H25NO2 — CID 97379505

IUPAC(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOC[C@@]12CCCO[C@H]1CCN(CC1CC1)C2
InChIInChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14-/m0/s1
InChIKeyUDHXMYVILOGCFL-KBPBESRZSA-N
MW239.36 g/mol
LogP1.91
Rot. Bonds4

About (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 97379505) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID97379505
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOC[C@@]12CCCO[C@H]1CCN(CC1CC1)C2
InChIInChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14-/m0/s1
InChIKeyUDHXMYVILOGCFL-KBPBESRZSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine with MolForge

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Related Compounds

6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131644652
4a-((cyclopropylmethoxy)methyl)octahydro-2H-pyrano[3,2-c]pyridine
CID 131647117
4a-(cyclopropylmethoxymethyl)-6-(2-methoxyethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131653147
4a-(ethoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 131657894
6-(cyclopropylmethyl)-4a-(ethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 131663655
6-Methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 70350904
3,3,6-trimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 168223294
Ethane;6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 178114700
6-Ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 178114907
6-Methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-ol
CID 82412063
(4aR,8aR)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 97363172
(4aR,8aS)-4a-(methoxymethyl)-N,N-dimethyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 97363173

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 97379505) is (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is COC[C@@]12CCCO[C@H]1CCN(CC1CC1)C2.
What is the InChIKey of (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is UDHXMYVILOGCFL-KBPBESRZSA-N. The full InChI is InChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
(4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 239.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 97379505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).