2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide

C15H28N2O3 — CID 43750672

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)16-3)17-12-4-6-15(7-5-12)19-8-9-20-15/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyYKBLYUAUJHFVOB-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds5

About 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide (PubChem CID 43750672) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide
PubChem CID43750672
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)16-3)17-12-4-6-15(7-5-12)19-8-9-20-15/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyYKBLYUAUJHFVOB-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
CID 43573998
N,4-dimethyl-2-[(3-propan-2-ylcyclohexyl)amino]pentanamide
CID 107448285
N-(1-methylsulfinylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104814286
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
CID 60931755
N,4-dimethyl-2-(oxan-4-ylmethylamino)pentanamide
CID 55065982
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
N-[(1R)-1-cycloheptylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81390369
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
(2R)-2-[(4,4-dimethylcyclohexyl)amino]-N-methylpropanamide
CID 103923548
N,4-dimethyl-2-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]pentanamide
CID 75427797
2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477178

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide (CID 43750672) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide?
The InChIKey is YKBLYUAUJHFVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)10-13(14(18)16-3)17-12-4-6-15(7-5-12)19-8-9-20-15/h11-13,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide has a molecular weight of 284.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,4-dimethylpentanamide is sourced from PubChem (CID 43750672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).