1-azido-11-prop-2-ynoxyundecane

C14H25N3O — CID 102411227

IUPAC1-azido-11-prop-2-ynoxyundecane
SMILESC#CCOCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H25N3O/c1-2-13-18-14-11-9-7-5-3-4-6-8-10-12-16-17-15/h1H,3-14H2
InChIKeyPZFUBTBTJDRRFQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.46
Rot. Bonds13

About 1-azido-11-prop-2-ynoxyundecane

1-azido-11-prop-2-ynoxyundecane (PubChem CID 102411227) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-azido-11-prop-2-ynoxyundecane.

Molecular Properties

Compound Name1-azido-11-prop-2-ynoxyundecane
PubChem CID102411227
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-azido-11-prop-2-ynoxyundecane
SMILESC#CCOCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C14H25N3O/c1-2-13-18-14-11-9-7-5-3-4-6-8-10-12-16-17-15/h1H,3-14H2
InChIKeyPZFUBTBTJDRRFQ-UHFFFAOYSA-N
XLogP4.46
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(2-azidoethoxy)pentane
CID 130260836
1,14-diazidotetradecane
CID 146463967
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
4-(4-azidobutoxy)butan-1-amine
CID 151331524
1-azidopropane;2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 165030217
5-prop-2-ynoxypentan-1-ol
CID 10796854
12-prop-2-ynoxydodecan-1-ol
CID 21311697
tris(3-azidopropyl) phosphate;tris(prop-2-ynyl) phosphate
CID 162218576
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
1-azido-3-(2-azidoethoxy)propane
CID 161084189
4-prop-2-ynoxybutan-1-amine
CID 126972070
2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
CID 102452687

Frequently Asked Questions

What is the IUPAC name of 1-azido-11-prop-2-ynoxyundecane?
The IUPAC name of 1-azido-11-prop-2-ynoxyundecane (CID 102411227) is 1-azido-11-prop-2-ynoxyundecane.
What is the SMILES notation for 1-azido-11-prop-2-ynoxyundecane?
The canonical SMILES for 1-azido-11-prop-2-ynoxyundecane is C#CCOCCCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 1-azido-11-prop-2-ynoxyundecane?
The InChIKey is PZFUBTBTJDRRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-13-18-14-11-9-7-5-3-4-6-8-10-12-16-17-15/h1H,3-14H2.
What are the key properties of 1-azido-11-prop-2-ynoxyundecane?
1-azido-11-prop-2-ynoxyundecane has a molecular weight of 251.37 g/mol, XLogP of 4.46, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-11-prop-2-ynoxyundecane is sourced from PubChem (CID 102411227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).