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

C20H38N4 — CID 167135424

IUPAC(3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CC[C@H]2CC(CC(C)N3CC[C@@H]4CCNC[C@@H]43)N[C@H]2C1
InChIInChI=1S/C20H38N4/c1-14(2)23-8-5-17-11-18(22-19(17)13-23)10-15(3)24-9-6-16-4-7-21-12-20(16)24/h14-22H,4-13H2,1-3H3/t15?,16-,17-,18?,19-,20-/m0/s1
InChIKeyUFQDILSXSMISEV-NPFFOCMASA-N
MW334.55 g/mol
LogP1.91
Rot. Bonds4

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

(3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 167135424) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID167135424
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name(3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCC(C)N1CC[C@H]2CC(CC(C)N3CC[C@@H]4CCNC[C@@H]43)N[C@H]2C1
InChIInChI=1S/C20H38N4/c1-14(2)23-8-5-17-11-18(22-19(17)13-23)10-15(3)24-9-6-16-4-7-21-12-20(16)24/h14-22H,4-13H2,1-3H3/t15?,16-,17-,18?,19-,20-/m0/s1
InChIKeyUFQDILSXSMISEV-NPFFOCMASA-N
XLogP1.91
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-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 (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 167135424) is (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CC(C)N1CC[C@H]2CC(CC(C)N3CC[C@@H]4CCNC[C@@H]43)N[C@H]2C1.
What is the InChIKey of (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is UFQDILSXSMISEV-NPFFOCMASA-N. The full InChI is InChI=1S/C20H38N4/c1-14(2)23-8-5-17-11-18(22-19(17)13-23)10-15(3)24-9-6-16-4-7-21-12-20(16)24/h14-22H,4-13H2,1-3H3/t15?,16-,17-,18?,19-,20-/m0/s1.
What are the key properties of (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
(3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 334.55 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-2-[2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 167135424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).