ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

C18H31N3O — CID 176695712

IUPACethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCC.CC(C)Oc1ccc(N2CCC3CN(C)CCC32)nc1
InChIInChI=1S/C16H25N3O.C2H6/c1-12(2)20-14-4-5-16(17-10-14)19-9-6-13-11-18(3)8-7-15(13)19;1-2/h4-5,10,12-13,15H,6-9,11H2,1-3H3;1-2H3
InChIKeyWHHFLFZLRCFPJR-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.43
Rot. Bonds3

About ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine

ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 176695712) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID176695712
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Nameethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCC.CC(C)Oc1ccc(N2CCC3CN(C)CCC32)nc1
InChIInChI=1S/C16H25N3O.C2H6/c1-12(2)20-14-4-5-16(17-10-14)19-9-6-13-11-18(3)8-7-15(13)19;1-2/h4-5,10,12-13,15H,6-9,11H2,1-3H3;1-2H3
InChIKeyWHHFLFZLRCFPJR-UHFFFAOYSA-N
XLogP3.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

(3aR)-1-(2-cyclopropylpyrimidin-5-yl)-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 170208337
6-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161701
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113015711
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770
5-(1-cyclopropylethoxy)pyridin-2-amine
CID 163237612
5-[6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]pyridin-2-amine
CID 25155932
ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 155873390
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
6-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 24743685

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 176695712) is ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is CC.CC(C)Oc1ccc(N2CCC3CN(C)CCC32)nc1.
What is the InChIKey of ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is WHHFLFZLRCFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.C2H6/c1-12(2)20-14-4-5-16(17-10-14)19-9-6-13-11-18(3)8-7-15(13)19;1-2/h4-5,10,12-13,15H,6-9,11H2,1-3H3;1-2H3.
What are the key properties of ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine?
ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 305.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-(5-propan-2-yloxy-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 176695712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).