6-imidazolidin-1-yl-2-methylhexan-3-one

C10H20N2O — CID 58309908

IUPAC6-imidazolidin-1-yl-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCN1CCNC1
InChIInChI=1S/C10H20N2O/c1-9(2)10(13)4-3-6-12-7-5-11-8-12/h9,11H,3-8H2,1-2H3
InChIKeyJRRVBAWNNHQWRH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds5

About 6-imidazolidin-1-yl-2-methylhexan-3-one

6-imidazolidin-1-yl-2-methylhexan-3-one (PubChem CID 58309908) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-imidazolidin-1-yl-2-methylhexan-3-one.

Molecular Properties

Compound Name6-imidazolidin-1-yl-2-methylhexan-3-one
PubChem CID58309908
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name6-imidazolidin-1-yl-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCN1CCNC1
InChIInChI=1S/C10H20N2O/c1-9(2)10(13)4-3-6-12-7-5-11-8-12/h9,11H,3-8H2,1-2H3
InChIKeyJRRVBAWNNHQWRH-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
CID 169158348
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-3-one
CID 165459746
N-butan-2-yl-N-methyl-4-piperazin-1-ylbutanamide
CID 112514504
1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide
CID 155183394
3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid
CID 174464375
7-methyl-1-piperidin-1-yloctane-1,6-dione
CID 166128163
6-bromo-2-methylhexan-3-one
CID 12643721
methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159657528
6-piperazin-1-ylhexanoic acid
CID 54010280
1-(8-methylnonyl)piperazine
CID 170614920

Frequently Asked Questions

What is the IUPAC name of 6-imidazolidin-1-yl-2-methylhexan-3-one?
The IUPAC name of 6-imidazolidin-1-yl-2-methylhexan-3-one (CID 58309908) is 6-imidazolidin-1-yl-2-methylhexan-3-one.
What is the SMILES notation for 6-imidazolidin-1-yl-2-methylhexan-3-one?
The canonical SMILES for 6-imidazolidin-1-yl-2-methylhexan-3-one is CC(C)C(=O)CCCN1CCNC1.
What is the InChIKey of 6-imidazolidin-1-yl-2-methylhexan-3-one?
The InChIKey is JRRVBAWNNHQWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)10(13)4-3-6-12-7-5-11-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-imidazolidin-1-yl-2-methylhexan-3-one?
6-imidazolidin-1-yl-2-methylhexan-3-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazolidin-1-yl-2-methylhexan-3-one is sourced from PubChem (CID 58309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).