5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine

C13H26N2 — CID 123197448

IUPAC5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
SMILESCCC(C)C1CC2C(C)CNC2N(C)C1
InChIInChI=1S/C13H26N2/c1-5-9(2)11-6-12-10(3)7-14-13(12)15(4)8-11/h9-14H,5-8H2,1-4H3
InChIKeyDJOCOKWLADBYQK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.17
Rot. Bonds2

About 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine

5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine (PubChem CID 123197448) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
PubChem CID123197448
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
SMILESCCC(C)C1CC2C(C)CNC2N(C)C1
InChIInChI=1S/C13H26N2/c1-5-9(2)11-6-12-10(3)7-14-13(12)15(4)8-11/h9-14H,5-8H2,1-4H3
InChIKeyDJOCOKWLADBYQK-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-fluoro-N-methylpentan-1-amine
CID 176569412
7-Methyloctahydro-1H-pyrrolo[2,3-b]pyridine
CID 12253963
2,7-Dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine
CID 12253964
1-(3-Butylpyrrolidin-2-yl)-4-ethylpiperidine
CID 19902516
4-Propan-2-yl-2-pyrrolidin-1-ylpiperidine
CID 58029960
3-Methyl-8-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 58030247
3-(12-Methyl-7,9-diazatricyclo[7.4.0.02,7]tridecan-4-yl)propan-1-amine
CID 59979441
(7aR)-3,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 68213347
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[2,3-b]indole
CID 69300144
N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 70339920
4,5-Diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 70868554
4,5-Diethyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
CID 70868555

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine (CID 123197448) is 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine is CCC(C)C1CC2C(C)CNC2N(C)C1.
What is the InChIKey of 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine?
The InChIKey is DJOCOKWLADBYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-9(2)11-6-12-10(3)7-14-13(12)15(4)8-11/h9-14H,5-8H2,1-4H3.
What are the key properties of 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine?
5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine has a molecular weight of 210.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123197448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).