2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C17H34N2O2 — CID 145241983

IUPAC2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CNCCO2.CCCC(C)(C)C
InChIInChI=1S/C10H18N2O2.C7H16/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10;1-5-6-7(2,3)4/h11H,2-8H2,1H3;5-6H2,1-4H3
InChIKeyHKJJJILVKAQNAJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds1

About 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 145241983) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID145241983
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CNCCO2.CCCC(C)(C)C
InChIInChI=1S/C10H18N2O2.C7H16/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10;1-5-6-7(2,3)4/h11H,2-8H2,1H3;5-6H2,1-4H3
InChIKeyHKJJJILVKAQNAJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 145241983) is 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CC1)CNCCO2.CCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is HKJJJILVKAQNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C7H16/c1-9(13)12-5-2-10(3-6-12)8-11-4-7-14-10;1-5-6-7(2,3)4/h11H,2-8H2,1H3;5-6H2,1-4H3.
What are the key properties of 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 298.47 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 145241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).