(2R)-2-azidohexadecane

C16H33N3 — CID 174670947

IUPAC(2R)-2-azidohexadecane
SMILESCCCCCCCCCCCCCC[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C16H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-19-17/h16H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyFHXUAKKUVZJSFU-MRXNPFEDSA-N
MW267.46 g/mol
LogP6.78
Rot. Bonds14

About (2R)-2-azidohexadecane

(2R)-2-azidohexadecane (PubChem CID 174670947) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is (2R)-2-azidohexadecane.

Molecular Properties

Compound Name(2R)-2-azidohexadecane
PubChem CID174670947
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name(2R)-2-azidohexadecane
SMILESCCCCCCCCCCCCCC[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C16H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-19-17/h16H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyFHXUAKKUVZJSFU-MRXNPFEDSA-N
XLogP6.78
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2S)-2-azidononane
CID 102115708
(12R)-12-azidotridecan-1-ol
CID 102293443
1,4-diazidopentane
CID 10820774
6,7-diazidododecane
CID 122603304
di(octan-2-yl)diazene
CID 139695075
2,4-diazidopentane
CID 78066525
1-azidododecane-1-sulfinic acid
CID 174505373
1-azidododecane-1-sulfinate
CID 174505372
3-chloro-2-methyltetradecane
CID 63459285
decyl-dimethyl-nonylphosphanium
CID 87732648
(1-octadecanoyloxy-3-undec-10-enoyloxypropan-2-yl) 17-azidooctadecanoate
CID 162405943
1-azidooctadecyl formate
CID 18522841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azidohexadecane?
The IUPAC name of (2R)-2-azidohexadecane (CID 174670947) is (2R)-2-azidohexadecane.
What is the SMILES notation for (2R)-2-azidohexadecane?
The canonical SMILES for (2R)-2-azidohexadecane is CCCCCCCCCCCCCC[C@@H](C)N=[N+]=[N-].
What is the InChIKey of (2R)-2-azidohexadecane?
The InChIKey is FHXUAKKUVZJSFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-19-17/h16H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-azidohexadecane?
(2R)-2-azidohexadecane has a molecular weight of 267.46 g/mol, XLogP of 6.78, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azidohexadecane is sourced from PubChem (CID 174670947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).