4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C24H46N4O2 — CID 167241593

IUPAC4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)C(N1CCOC2(CCN(C)CC2)C1)C(C)(C)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C24H46N4O2/c1-20(2)21(27-15-17-30-24(19-27)6-11-26(5)12-7-24)22(3,4)28-13-8-23(9-14-28)18-25-10-16-29-23/h20-21,25H,6-19H2,1-5H3
InChIKeyYELSYDNWIMGMAC-UHFFFAOYSA-N
MW422.66 g/mol
LogP2.04
Rot. Bonds4

About 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 167241593) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID167241593
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Name4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)C(N1CCOC2(CCN(C)CC2)C1)C(C)(C)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C24H46N4O2/c1-20(2)21(27-15-17-30-24(19-27)6-11-26(5)12-7-24)22(3,4)28-13-8-23(9-14-28)18-25-10-16-29-23/h20-21,25H,6-19H2,1-5H3
InChIKeyYELSYDNWIMGMAC-UHFFFAOYSA-N
XLogP2.04
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 167241593) is 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)C(N1CCOC2(CCN(C)CC2)C1)C(C)(C)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YELSYDNWIMGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-20(2)21(27-15-17-30-24(19-27)6-11-26(5)12-7-24)22(3,4)28-13-8-23(9-14-28)18-25-10-16-29-23/h20-21,25H,6-19H2,1-5H3.
What are the key properties of 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 422.66 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-3-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 167241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).