(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

C9H18N2 — CID 148741142

IUPAC(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CC[C@H]2CCN(C)[C@H]2C1
InChIInChI=1S/C9H18N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyOLRHNXUSENSGKB-IUCAKERBSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds

About (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine

(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 148741142) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID148741142
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
SMILESCN1CC[C@H]2CCN(C)[C@H]2C1
InChIInChI=1S/C9H18N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyOLRHNXUSENSGKB-IUCAKERBSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

(2R)-2-cyclobutyl-1,4-dimethylpiperazine
CID 170608079
1-tert-butyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 90337619
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
2-(1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-6-yl)ethanol
CID 126993434
6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 130611601
1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-amine
CID 82416479
ethane;6-ethyl-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine;tungsten(2+)
CID 158839995
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid
CID 83916937
4-fluoro-1-methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 138569410
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine (CID 148741142) is (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is CN1CC[C@H]2CCN(C)[C@H]2C1.
What is the InChIKey of (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is OLRHNXUSENSGKB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-5-3-8-4-6-11(2)9(8)7-10/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine?
(3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine has a molecular weight of 154.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-1,6-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 148741142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).