3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

C25H48N4O — CID 164919616

IUPAC3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCNC2=O)CC1.CCC(CC)N1CCC2(CC1)CNC(C)C2
InChIInChI=1S/C14H28N2.C11H20N2O/c1-4-13(5-2)16-8-6-14(7-9-16)10-12(3)15-11-14;1-9(2)13-7-4-11(5-8-13)3-6-12-10(11)14/h12-13,15H,4-11H2,1-3H3;9H,3-8H2,1-2H3,(H,12,14)
InChIKeyOTDHUYXQSDWJDB-UHFFFAOYSA-N
MW420.69 g/mol
LogP3.64
Rot. Bonds4

About 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 164919616) has the molecular formula C25H48N4O and a molecular weight of 420.69 g/mol. Its IUPAC name is 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID164919616
Molecular FormulaC25H48N4O
Molecular Weight420.69 g/mol
Exact Mass420.38
IUPAC Name3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCNC2=O)CC1.CCC(CC)N1CCC2(CC1)CNC(C)C2
InChIInChI=1S/C14H28N2.C11H20N2O/c1-4-13(5-2)16-8-6-14(7-9-16)10-12(3)15-11-14;1-9(2)13-7-4-11(5-8-13)3-6-12-10(11)14/h12-13,15H,4-11H2,1-3H3;9H,3-8H2,1-2H3,(H,12,14)
InChIKeyOTDHUYXQSDWJDB-UHFFFAOYSA-N
XLogP3.64
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 164919616) is 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is CC(C)N1CCC2(CCNC2=O)CC1.CCC(CC)N1CCC2(CC1)CNC(C)C2.
What is the InChIKey of 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OTDHUYXQSDWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C11H20N2O/c1-4-13(5-2)16-8-6-14(7-9-16)10-12(3)15-11-14;1-9(2)13-7-4-11(5-8-13)3-6-12-10(11)14/h12-13,15H,4-11H2,1-3H3;9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 420.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-pentan-3-yl-2,8-diazaspiro[4.5]decane;8-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 164919616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).