2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane

C24H46N4 — CID 146201435

IUPAC2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CCC(C)(C)N1CCC3(CN(C)C3)C1)C2
InChIInChI=1S/C24H46N4/c1-21(2,27-15-11-23(19-27)9-13-25(5)14-10-23)7-8-22(3,4)28-16-12-24(20-28)17-26(6)18-24/h7-20H2,1-6H3
InChIKeyCLENTZPESYDCKS-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.38
Rot. Bonds5

About 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane

2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 146201435) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID146201435
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CCC(C)(C)N1CCC3(CN(C)C3)C1)C2
InChIInChI=1S/C24H46N4/c1-21(2,27-15-11-23(19-27)9-13-25(5)14-10-23)7-8-22(3,4)28-16-12-24(20-28)17-26(6)18-24/h7-20H2,1-6H3
InChIKeyCLENTZPESYDCKS-UHFFFAOYSA-N
XLogP3.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane (CID 146201435) is 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CCN(C(C)(C)CCC(C)(C)N1CCC3(CN(C)C3)C1)C2.
What is the InChIKey of 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is CLENTZPESYDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-21(2,27-15-11-23(19-27)9-13-25(5)14-10-23)7-8-22(3,4)28-16-12-24(20-28)17-26(6)18-24/h7-20H2,1-6H3.
What are the key properties of 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 390.66 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 146201435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).