7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane

C20H38N4 — CID 129229164

IUPAC7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCC(CC(C)N3CCC4CCNC4C3)NC2)C1
InChIInChI=1S/C20H38N4/c1-15(2)24-13-20(14-24)7-4-18(22-12-20)10-16(3)23-9-6-17-5-8-21-19(17)11-23/h15-19,21-22H,4-14H2,1-3H3
InChIKeyKVFZKFUUDHGNPH-UHFFFAOYSA-N
MW334.55 g/mol
LogP1.91
Rot. Bonds4

About 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane

7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane (PubChem CID 129229164) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
PubChem CID129229164
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCC(CC(C)N3CCC4CCNC4C3)NC2)C1
InChIInChI=1S/C20H38N4/c1-15(2)24-13-20(14-24)7-4-18(22-12-20)10-16(3)23-9-6-17-5-8-21-19(17)11-23/h15-19,21-22H,4-14H2,1-3H3
InChIKeyKVFZKFUUDHGNPH-UHFFFAOYSA-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 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane with MolForge

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Related Compounds

(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
3-[2-(2,8-diazaspiro[4.5]decan-8-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 170423334
3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
CID 167259305
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748
1-[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-3-methylbutan-1-one
CID 178190719
2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 134555242
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propanamide
CID 64851610

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane (CID 129229164) is 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane is CC(C)N1CC2(CCC(CC(C)N3CCC4CCNC4C3)NC2)C1.
What is the InChIKey of 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane?
The InChIKey is KVFZKFUUDHGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4/c1-15(2)24-13-20(14-24)7-4-18(22-12-20)10-16(3)23-9-6-17-5-8-21-19(17)11-23/h15-19,21-22H,4-14H2,1-3H3.
What are the key properties of 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane?
7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane 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 7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 129229164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).