1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one

C10H20N2O2 — CID 79199915

IUPAC1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
SMILESO=C(CCCCO)N1CCCNCC1
InChIInChI=1S/C10H20N2O2/c13-9-2-1-4-10(14)12-7-3-5-11-6-8-12/h11,13H,1-9H2
InChIKeyQFYLPLGVCYKLJH-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds4

About 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one

1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one (PubChem CID 79199915) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
PubChem CID79199915
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
SMILESO=C(CCCCO)N1CCCNCC1
InChIInChI=1S/C10H20N2O2/c13-9-2-1-4-10(14)12-7-3-5-11-6-8-12/h11,13H,1-9H2
InChIKeyQFYLPLGVCYKLJH-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119416641
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one?
The IUPAC name of 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one (CID 79199915) is 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one is O=C(CCCCO)N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one?
The InChIKey is QFYLPLGVCYKLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-9-2-1-4-10(14)12-7-3-5-11-6-8-12/h11,13H,1-9H2.
What are the key properties of 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one?
1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one is sourced from PubChem (CID 79199915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).