(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane

C22H40N2 — CID 155221339

IUPAC(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane
SMILESCC1CCC2(CC1)NC(CC1CCC3(CCN[C@@H]3C)CC1)C[C@@H]2C
InChIInChI=1S/C22H40N2/c1-16-4-10-22(11-5-16)17(2)14-20(24-22)15-19-6-8-21(9-7-19)12-13-23-18(21)3/h16-20,23-24H,4-15H2,1-3H3/t16?,17-,18+,19?,20?,21?,22?/m0/s1
InChIKeyFVNLTICXRZRQNA-RHBKYMMUSA-N
MW332.58 g/mol
LogP4.88
Rot. Bonds2

About (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane

(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane (PubChem CID 155221339) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane
PubChem CID155221339
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane
SMILESCC1CCC2(CC1)NC(CC1CCC3(CCN[C@@H]3C)CC1)C[C@@H]2C
InChIInChI=1S/C22H40N2/c1-16-4-10-22(11-5-16)17(2)14-20(24-22)15-19-6-8-21(9-7-19)12-13-23-18(21)3/h16-20,23-24H,4-15H2,1-3H3/t16?,17-,18+,19?,20?,21?,22?/m0/s1
InChIKeyFVNLTICXRZRQNA-RHBKYMMUSA-N
XLogP4.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane?
The IUPAC name of (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane (CID 155221339) is (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane.
What is the SMILES notation for (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane?
The canonical SMILES for (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane is CC1CCC2(CC1)NC(CC1CCC3(CCN[C@@H]3C)CC1)C[C@@H]2C.
What is the InChIKey of (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane?
The InChIKey is FVNLTICXRZRQNA-RHBKYMMUSA-N. The full InChI is InChI=1S/C22H40N2/c1-16-4-10-22(11-5-16)17(2)14-20(24-22)15-19-6-8-21(9-7-19)12-13-23-18(21)3/h16-20,23-24H,4-15H2,1-3H3/t16?,17-,18+,19?,20?,21?,22?/m0/s1.
What are the key properties of (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane?
(4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane has a molecular weight of 332.58 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dimethyl-2-[[(1R)-1-methyl-2-azaspiro[4.5]decan-8-yl]methyl]-1-azaspiro[4.5]decane is sourced from PubChem (CID 155221339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).