1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane

C11H20N2 — CID 145006462

IUPAC1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane
SMILESCC.CC1=NC2=C(CC1)N(C)CC2
InChIInChI=1S/C9H14N2.C2H6/c1-7-3-4-9-8(10-7)5-6-11(9)2;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyKNNLVQXEBLHVIC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.81
Rot. Bonds

About 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane

1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane (PubChem CID 145006462) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane.

Molecular Properties

Compound Name1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane
PubChem CID145006462
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane
SMILESCC.CC1=NC2=C(CC1)N(C)CC2
InChIInChI=1S/C9H14N2.C2H6/c1-7-3-4-9-8(10-7)5-6-11(9)2;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyKNNLVQXEBLHVIC-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 131997936
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
1,5-Dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine
CID 145006463
2,5-Dimethyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 153199421

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane?
The IUPAC name of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane (CID 145006462) is 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane.
What is the SMILES notation for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane?
The canonical SMILES for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane is CC.CC1=NC2=C(CC1)N(C)CC2.
What is the InChIKey of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane?
The InChIKey is KNNLVQXEBLHVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-7-3-4-9-8(10-7)5-6-11(9)2;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane?
1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,6,7-tetrahydropyrrolo[3,2-b]pyridine;ethane is sourced from PubChem (CID 145006462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).