2-azido-3-ethylpentan-1-ol

C7H15N3O — CID 152756616

IUPAC2-azido-3-ethylpentan-1-ol
SMILESCCC(CC)C(CO)N=[N+]=[N-]
InChIInChI=1S/C7H15N3O/c1-3-6(4-2)7(5-11)9-10-8/h6-7,11H,3-5H2,1-2H3
InChIKeyINDGLDRABCZGHC-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.09
Rot. Bonds5

About 2-azido-3-ethylpentan-1-ol

2-azido-3-ethylpentan-1-ol (PubChem CID 152756616) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-azido-3-ethylpentan-1-ol.

Molecular Properties

Compound Name2-azido-3-ethylpentan-1-ol
PubChem CID152756616
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-azido-3-ethylpentan-1-ol
SMILESCCC(CC)C(CO)N=[N+]=[N-]
InChIInChI=1S/C7H15N3O/c1-3-6(4-2)7(5-11)9-10-8/h6-7,11H,3-5H2,1-2H3
InChIKeyINDGLDRABCZGHC-UHFFFAOYSA-N
XLogP2.09
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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,3S)-2-azido-3-methylpentan-1-ol
CID 130656400
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
(2S)-2-azido-3-ethyl-1-sulfanyloxypentane
CID 89309661
2-azido-3-bromobutane-1,4-diol
CID 72663930
(2S,3S)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 58158430
(2R,3R)-2-azido-4-methylsulfanylbutane-1,3-diol
CID 123374963
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
(3S)-2-[(2S)-2-azido-1,3-dihydroxypropoxy]butane-1,3-diol
CID 90352756
(4R)-3-azido-4-methylhexane
CID 54477838
2-azidooctadecane-1,3,4-triol
CID 14017259
(2S,3S,4R)-2-azidodecane-1,3,4-triol
CID 90749727
3-azidopentane
CID 19966832

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-ethylpentan-1-ol?
The IUPAC name of 2-azido-3-ethylpentan-1-ol (CID 152756616) is 2-azido-3-ethylpentan-1-ol.
What is the SMILES notation for 2-azido-3-ethylpentan-1-ol?
The canonical SMILES for 2-azido-3-ethylpentan-1-ol is CCC(CC)C(CO)N=[N+]=[N-].
What is the InChIKey of 2-azido-3-ethylpentan-1-ol?
The InChIKey is INDGLDRABCZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-6(4-2)7(5-11)9-10-8/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-azido-3-ethylpentan-1-ol?
2-azido-3-ethylpentan-1-ol has a molecular weight of 157.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-ethylpentan-1-ol is sourced from PubChem (CID 152756616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).