8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane

C25H46N2 — CID 170137918

IUPAC8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CCN(CCC(C)C3CCC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C25H46N2/c1-20(2)23-18-25(19-23)10-15-27(16-11-25)12-6-21(3)22-5-7-24(17-22)8-13-26(4)14-9-24/h20-23H,5-19H2,1-4H3
InChIKeyGYHNRGKTIPTDDV-UHFFFAOYSA-N
MW374.66 g/mol
LogP5.67
Rot. Bonds5

About 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane

8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane (PubChem CID 170137918) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
PubChem CID170137918
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
SMILESCC(C)C1CC2(CCN(CCC(C)C3CCC4(CCN(C)CC4)C3)CC2)C1
InChIInChI=1S/C25H46N2/c1-20(2)23-18-25(19-23)10-15-27(16-11-25)12-6-21(3)22-5-7-24(17-22)8-13-26(4)14-9-24/h20-23H,5-19H2,1-4H3
InChIKeyGYHNRGKTIPTDDV-UHFFFAOYSA-N
XLogP5.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane (CID 170137918) is 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane is CC(C)C1CC2(CCN(CCC(C)C3CCC4(CCN(C)CC4)C3)CC2)C1.
What is the InChIKey of 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane?
The InChIKey is GYHNRGKTIPTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2/c1-20(2)23-18-25(19-23)10-15-27(16-11-25)12-6-21(3)22-5-7-24(17-22)8-13-26(4)14-9-24/h20-23H,5-19H2,1-4H3.
What are the key properties of 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane?
8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane has a molecular weight of 374.66 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 170137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).