N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine

C11H23N3 — CID 70339920

IUPACN,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCC1CNC2NCC(CN(C)C)C2C1
InChIInChI=1S/C11H23N3/c1-8-4-10-9(7-14(2)3)6-13-11(10)12-5-8/h8-13H,4-7H2,1-3H3
InChIKeyJOPAFRPJZDYRML-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.34
Rot. Bonds2

About N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine

N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 70339920) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID70339920
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCC1CNC2NCC(CN(C)C)C2C1
InChIInChI=1S/C11H23N3/c1-8-4-10-9(7-14(2)3)6-13-11(10)12-5-8/h8-13H,4-7H2,1-3H3
InChIKeyJOPAFRPJZDYRML-UHFFFAOYSA-N
XLogP0.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of 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) is N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine is CC1CNC2NCC(CN(C)C)C2C1.
What is the InChIKey of N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is JOPAFRPJZDYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8-4-10-9(7-14(2)3)6-13-11(10)12-5-8/h8-13H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine?
N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 197.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 70339920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).