2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one

C28H52N4O2 — CID 159903033

IUPAC2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCCN(C(C)C)C2=O)C1.CC(C)N1CCCC2(CCN(C(C)C)C2=O)C1
InChIInChI=1S/2C14H26N2O/c1-11(2)15-9-7-14(10-15)6-5-8-16(12(3)4)13(14)17;1-11(2)15-8-5-6-14(10-15)7-9-16(12(3)4)13(14)17/h2*11-12H,5-10H2,1-4H3
InChIKeyNWEYZMCRVPRUSH-UHFFFAOYSA-N
MW476.75 g/mol
LogP4.24
Rot. Bonds4

About 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one

2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 159903033) has the molecular formula C28H52N4O2 and a molecular weight of 476.75 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID159903033
Molecular FormulaC28H52N4O2
Molecular Weight476.75 g/mol
Exact Mass476.41
IUPAC Name2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)N1CCC2(CCCN(C(C)C)C2=O)C1.CC(C)N1CCCC2(CCN(C(C)C)C2=O)C1
InChIInChI=1S/2C14H26N2O/c1-11(2)15-9-7-14(10-15)6-5-8-16(12(3)4)13(14)17;1-11(2)15-8-5-6-14(10-15)7-9-16(12(3)4)13(14)17/h2*11-12H,5-10H2,1-4H3
InChIKeyNWEYZMCRVPRUSH-UHFFFAOYSA-N
XLogP4.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 159903033) is 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one is CC(C)N1CCC2(CCCN(C(C)C)C2=O)C1.CC(C)N1CCCC2(CCN(C(C)C)C2=O)C1.
What is the InChIKey of 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is NWEYZMCRVPRUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2O/c1-11(2)15-9-7-14(10-15)6-5-8-16(12(3)4)13(14)17;1-11(2)15-8-5-6-14(10-15)7-9-16(12(3)4)13(14)17/h2*11-12H,5-10H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one?
2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 476.75 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 159903033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).