2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

C24H46N4 — CID 129149440

IUPAC2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CCC2CN(C(C)(C)CCC(C)(C)N3CCC4C(CCN4C)C3)CC2C1
InChIInChI=1S/C24H46N4/c1-23(2,27-14-9-22-20(17-27)8-13-26(22)6)10-11-24(3,4)28-16-19-7-12-25(5)15-21(19)18-28/h19-22H,7-18H2,1-6H3
InChIKeySFIDNVOEOKTWRR-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.23
Rot. Bonds5

About 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 129149440) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID129149440
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCN1CCC2CN(C(C)(C)CCC(C)(C)N3CCC4C(CCN4C)C3)CC2C1
InChIInChI=1S/C24H46N4/c1-23(2,27-14-9-22-20(17-27)8-13-26(22)6)10-11-24(3,4)28-16-19-7-12-25(5)15-21(19)18-28/h19-22H,7-18H2,1-6H3
InChIKeySFIDNVOEOKTWRR-UHFFFAOYSA-N
XLogP3.23
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (CID 129149440) is 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is CN1CCC2CN(C(C)(C)CCC(C)(C)N3CCC4C(CCN4C)C3)CC2C1.
What is the InChIKey of 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is SFIDNVOEOKTWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-23(2,27-14-9-22-20(17-27)8-13-26(22)6)10-11-24(3,4)28-16-19-7-12-25(5)15-21(19)18-28/h19-22H,7-18H2,1-6H3.
What are the key properties of 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 390.66 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl)hexan-2-yl]-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 129149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).