azane;1-methoxydodecane

C13H31NO — CID 174553670

IUPACazane;1-methoxydodecane
SMILESCCCCCCCCCCCCOC.N
InChIInChI=1S/C13H28O.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;/h3-13H2,1-2H3;1H3
InChIKeyCUULSPWFDGADPP-UHFFFAOYSA-N
MW217.40 g/mol
LogP4.72
Rot. Bonds11

About azane;1-methoxydodecane

azane;1-methoxydodecane (PubChem CID 174553670) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is azane;1-methoxydodecane.

Molecular Properties

Compound Nameazane;1-methoxydodecane
PubChem CID174553670
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Nameazane;1-methoxydodecane
SMILESCCCCCCCCCCCCOC.N
InChIInChI=1S/C13H28O.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;/h3-13H2,1-2H3;1H3
InChIKeyCUULSPWFDGADPP-UHFFFAOYSA-N
XLogP4.72
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyhexacosane
CID 20780514
bis(ethane-1,2-diol);1-methoxyheptane
CID 91824258
1,2-dimethoxyethane;1-hexoxyhexane
CID 174800290
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
(Z)-22-methoxydocos-9-ene
CID 139489496
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
1-butoxy-4-methoxybutane
CID 13082830
1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
CID 67569539

Frequently Asked Questions

What is the IUPAC name of azane;1-methoxydodecane?
The IUPAC name of azane;1-methoxydodecane (CID 174553670) is azane;1-methoxydodecane.
What is the SMILES notation for azane;1-methoxydodecane?
The canonical SMILES for azane;1-methoxydodecane is CCCCCCCCCCCCOC.N.
What is the InChIKey of azane;1-methoxydodecane?
The InChIKey is CUULSPWFDGADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2;/h3-13H2,1-2H3;1H3.
What are the key properties of azane;1-methoxydodecane?
azane;1-methoxydodecane has a molecular weight of 217.40 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methoxydodecane is sourced from PubChem (CID 174553670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).