(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C18H34N4 — CID 129237725

IUPAC(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(CC1C[C@H]2CCN(C)C[C@H]2N1)N1CC[C@H]2CCN[C@H]2C1
InChIInChI=1S/C18H34N4/c1-13(22-8-5-14-3-6-19-17(14)12-22)9-16-10-15-4-7-21(2)11-18(15)20-16/h13-20H,3-12H2,1-2H3/t13?,14-,15-,16?,17+,18-/m1/s1
InChIKeyYFLYXURIJJGVQU-MFRMMIBESA-N
MW306.50 g/mol
LogP1.13
Rot. Bonds3

About (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 129237725) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID129237725
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(CC1C[C@H]2CCN(C)C[C@H]2N1)N1CC[C@H]2CCN[C@H]2C1
InChIInChI=1S/C18H34N4/c1-13(22-8-5-14-3-6-19-17(14)12-22)9-16-10-15-4-7-21(2)11-18(15)20-16/h13-20H,3-12H2,1-2H3/t13?,14-,15-,16?,17+,18-/m1/s1
InChIKeyYFLYXURIJJGVQU-MFRMMIBESA-N
XLogP1.13
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 129237725) is (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CC(CC1C[C@H]2CCN(C)C[C@H]2N1)N1CC[C@H]2CCN[C@H]2C1.
What is the InChIKey of (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is YFLYXURIJJGVQU-MFRMMIBESA-N. The full InChI is InChI=1S/C18H34N4/c1-13(22-8-5-14-3-6-19-17(14)12-22)9-16-10-15-4-7-21(2)11-18(15)20-16/h13-20H,3-12H2,1-2H3/t13?,14-,15-,16?,17+,18-/m1/s1.
What are the key properties of (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
(3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 306.50 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2-[2-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]propyl]-6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 129237725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).