6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one

C15H30N2O — CID 167375595

IUPAC6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one
SMILESCC(C)C1CNCC(=O)NC(C(C)C)C1C(C)C
InChIInChI=1S/C15H30N2O/c1-9(2)12-7-16-8-13(18)17-15(11(5)6)14(12)10(3)4/h9-12,14-16H,7-8H2,1-6H3,(H,17,18)
InChIKeyWFOKOCWCHUQVEN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds3

About 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one

6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one (PubChem CID 167375595) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one.

Molecular Properties

Compound Name6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one
PubChem CID167375595
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one
SMILESCC(C)C1CNCC(=O)NC(C(C)C)C1C(C)C
InChIInChI=1S/C15H30N2O/c1-9(2)12-7-16-8-13(18)17-15(11(5)6)14(12)10(3)4/h9-12,14-16H,7-8H2,1-6H3,(H,17,18)
InChIKeyWFOKOCWCHUQVEN-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59706732
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ethane;6-(hydroxymethyl)piperazin-2-one
CID 170608951
(3R,4S)-4-iodo-3-propan-2-ylpiperidine
CID 139491710
3-iodo-4-propan-2-ylpyrrolidine
CID 134386963
(6-oxopiperazin-2-yl) acetate
CID 174447712
trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane
CID 88942450
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
N-[(6-oxopiperazin-2-yl)methyl]methanesulfonamide
CID 139344034
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 59706724
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148

Frequently Asked Questions

What is the IUPAC name of 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one?
The IUPAC name of 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one (CID 167375595) is 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one.
What is the SMILES notation for 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one?
The canonical SMILES for 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one is CC(C)C1CNCC(=O)NC(C(C)C)C1C(C)C.
What is the InChIKey of 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one?
The InChIKey is WFOKOCWCHUQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-9(2)12-7-16-8-13(18)17-15(11(5)6)14(12)10(3)4/h9-12,14-16H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one?
6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one has a molecular weight of 254.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one is sourced from PubChem (CID 167375595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).