7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane

C20H37N3 — CID 167417400

IUPAC7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2CC(CN3CC4(CCN(C(C)C)C4)C3)CC2C1
InChIInChI=1S/C20H37N3/c1-15(2)22-6-5-20(14-22)12-21(13-20)9-17-7-18-10-23(16(3)4)11-19(18)8-17/h15-19H,5-14H2,1-4H3
InChIKeyMCAMYFUJVHDAKR-UHFFFAOYSA-N
MW319.54 g/mol
LogP2.77
Rot. Bonds4

About 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane

7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane (PubChem CID 167417400) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
PubChem CID167417400
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CC2CC(CN3CC4(CCN(C(C)C)C4)C3)CC2C1
InChIInChI=1S/C20H37N3/c1-15(2)22-6-5-20(14-22)12-21(13-20)9-17-7-18-10-23(16(3)4)11-19(18)8-17/h15-19H,5-14H2,1-4H3
InChIKeyMCAMYFUJVHDAKR-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane (CID 167417400) is 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane is CC(C)N1CC2CC(CN3CC4(CCN(C(C)C)C4)C3)CC2C1.
What is the InChIKey of 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane?
The InChIKey is MCAMYFUJVHDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-15(2)22-6-5-20(14-22)12-21(13-20)9-17-7-18-10-23(16(3)4)11-19(18)8-17/h15-19H,5-14H2,1-4H3.
What are the key properties of 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane?
7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane has a molecular weight of 319.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 167417400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).