5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine

C16H32N2 — CID 70916937

IUPAC5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C(C)CCC(C)C1CNC2NCCC2C1
InChIInChI=1S/C16H32N2/c1-11(2)12(3)5-6-13(4)15-9-14-7-8-17-16(14)18-10-15/h11-18H,5-10H2,1-4H3
InChIKeyIGYUKHGCGUCVAN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.24
Rot. Bonds5

About 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine

5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70916937) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70916937
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C(C)CCC(C)C1CNC2NCCC2C1
InChIInChI=1S/C16H32N2/c1-11(2)12(3)5-6-13(4)15-9-14-7-8-17-16(14)18-10-15/h11-18H,5-10H2,1-4H3
InChIKeyIGYUKHGCGUCVAN-UHFFFAOYSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[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
ethane;N,N,4-trimethyl-3,6-diazatricyclo[7.3.0.02,6]dodecan-5-amine
CID 53631793
(7aR)-3,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 68213347
1-[5-[4-(dimethylamino)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]ethane-1,2-diamine
CID 68393064
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
6-Hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 71260699
6-Hexan-3-yl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 71260707
6-Cyclohexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 71260709
7-Hexyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine
CID 71260711

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine (CID 70916937) is 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine is CC(C)C(C)CCC(C)C1CNC2NCCC2C1.
What is the InChIKey of 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IGYUKHGCGUCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)12(3)5-6-13(4)15-9-14-7-8-17-16(14)18-10-15/h11-18H,5-10H2,1-4H3.
What are the key properties of 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine?
5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylheptan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).