1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane

C14H30N2O — CID 114130039

IUPAC1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane
SMILESCOCCCCCN1CC(C)CNCC(C)C1
InChIInChI=1S/C14H30N2O/c1-13-9-15-10-14(2)12-16(11-13)7-5-4-6-8-17-3/h13-15H,4-12H2,1-3H3
InChIKeyNPYHDLGITGFHJL-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds6

About 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane

1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane (PubChem CID 114130039) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane
PubChem CID114130039
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane
SMILESCOCCCCCN1CC(C)CNCC(C)C1
InChIInChI=1S/C14H30N2O/c1-13-9-15-10-14(2)12-16(11-13)7-5-4-6-8-17-3/h13-15H,4-12H2,1-3H3
InChIKeyNPYHDLGITGFHJL-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutyl)azetidin-3-ol
CID 115773115
1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane
CID 63827412
1-(3-methoxypropyl)-5-methylpiperidin-3-amine
CID 79993292
(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
CID 146332106
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
(1S,5S)-3-(2-methoxyethyl)-3,7-diazabicyclo[3.3.1]nonane
CID 98469877
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane?
The IUPAC name of 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane (CID 114130039) is 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane is COCCCCCN1CC(C)CNCC(C)C1.
What is the InChIKey of 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane?
The InChIKey is NPYHDLGITGFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13-9-15-10-14(2)12-16(11-13)7-5-4-6-8-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane?
1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane has a molecular weight of 242.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-3,7-dimethyl-1,5-diazocane is sourced from PubChem (CID 114130039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).