ethanol;1-(3-methoxybutyl)-1,4,7-triazonane

C13H31N3O2 — CID 70236952

IUPACethanol;1-(3-methoxybutyl)-1,4,7-triazonane
SMILESCCO.COC(C)CCN1CCNCCNCC1
InChIInChI=1S/C11H25N3O.C2H6O/c1-11(15-2)3-8-14-9-6-12-4-5-13-7-10-14;1-2-3/h11-13H,3-10H2,1-2H3;3H,2H2,1H3
InChIKeyLQRIKCJDEUMIIQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP-0.10
Rot. Bonds4

About ethanol;1-(3-methoxybutyl)-1,4,7-triazonane

ethanol;1-(3-methoxybutyl)-1,4,7-triazonane (PubChem CID 70236952) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is ethanol;1-(3-methoxybutyl)-1,4,7-triazonane.

Molecular Properties

Compound Nameethanol;1-(3-methoxybutyl)-1,4,7-triazonane
PubChem CID70236952
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC Nameethanol;1-(3-methoxybutyl)-1,4,7-triazonane
SMILESCCO.COC(C)CCN1CCNCCNCC1
InChIInChI=1S/C11H25N3O.C2H6O/c1-11(15-2)3-8-14-9-6-12-4-5-13-7-10-14;1-2-3/h11-13H,3-10H2,1-2H3;3H,2H2,1H3
InChIKeyLQRIKCJDEUMIIQ-UHFFFAOYSA-N
XLogP-0.10
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-(3-methylpentyl)piperazine
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2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
1-[3-(2-ethylphenoxy)butyl]piperazine
CID 112509294
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
2-methoxy-3-piperazin-1-ylpropan-1-ol
CID 10487468
methanamine;2-piperazin-1-ylethanol
CID 142253011
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
N-methyl-1-piperazin-1-ylpentan-3-amine
CID 116954941
azane;2-piperazin-1-ylethanol
CID 23318747

Frequently Asked Questions

What is the IUPAC name of ethanol;1-(3-methoxybutyl)-1,4,7-triazonane?
The IUPAC name of ethanol;1-(3-methoxybutyl)-1,4,7-triazonane (CID 70236952) is ethanol;1-(3-methoxybutyl)-1,4,7-triazonane.
What is the SMILES notation for ethanol;1-(3-methoxybutyl)-1,4,7-triazonane?
The canonical SMILES for ethanol;1-(3-methoxybutyl)-1,4,7-triazonane is CCO.COC(C)CCN1CCNCCNCC1.
What is the InChIKey of ethanol;1-(3-methoxybutyl)-1,4,7-triazonane?
The InChIKey is LQRIKCJDEUMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.C2H6O/c1-11(15-2)3-8-14-9-6-12-4-5-13-7-10-14;1-2-3/h11-13H,3-10H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;1-(3-methoxybutyl)-1,4,7-triazonane?
ethanol;1-(3-methoxybutyl)-1,4,7-triazonane has a molecular weight of 261.41 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-(3-methoxybutyl)-1,4,7-triazonane is sourced from PubChem (CID 70236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).