(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C10H20N2 — CID 166764383

IUPAC(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CC[C@H]2CCNC2C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-4-9-3-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyIUTWKWRTLRWYRA-YHMJZVADSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds1

About (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 166764383) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID166764383
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CC[C@H]2CCNC2C1
InChIInChI=1S/C10H20N2/c1-8(2)12-6-4-9-3-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t9-,10?/m1/s1
InChIKeyIUTWKWRTLRWYRA-YHMJZVADSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
CID 129229164
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
1-but-3-yn-2-yl-3-cyclopropylpiperazine
CID 114420475
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
CID 64851610
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
CID 164555227
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748

Frequently Asked Questions

What is the IUPAC name of (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 166764383) is (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CC(C)N1CC[C@H]2CCNC2C1.
What is the InChIKey of (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is IUTWKWRTLRWYRA-YHMJZVADSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-6-4-9-3-5-11-10(9)7-12/h8-11H,3-7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 166764383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).