1-azido-3-methylpentan-2-ol

C6H13N3O — CID 116691796

IUPAC1-azido-3-methylpentan-2-ol
SMILESCCC(C)C(O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(2)6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3
InChIKeyDJWASGIXQNXQAH-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.70
Rot. Bonds4

About 1-azido-3-methylpentan-2-ol

1-azido-3-methylpentan-2-ol (PubChem CID 116691796) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-azido-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-azido-3-methylpentan-2-ol
PubChem CID116691796
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name1-azido-3-methylpentan-2-ol
SMILESCCC(C)C(O)CN=[N+]=[N-]
InChIInChI=1S/C6H13N3O/c1-3-5(2)6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3
InChIKeyDJWASGIXQNXQAH-UHFFFAOYSA-N
XLogP1.70
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.70
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

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CID 170826366
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
CID 118525657
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
methyl 3-azido-2-(butan-2-ylamino)propanoate
CID 66427531
(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid
CID 101153114
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
1-azido-2-chloropropane
CID 141342306
1-azidohexan-2-ol
CID 11171039
3-azido-1-(3-iodo-4,5-dimethoxyphenyl)propane-1,2-diol
CID 170827268
3-azido-1-[5-(hydroxymethyl)-2-methoxyphenyl]propane-1,2-diol
CID 170826312

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-methylpentan-2-ol?
The IUPAC name of 1-azido-3-methylpentan-2-ol (CID 116691796) is 1-azido-3-methylpentan-2-ol.
What is the SMILES notation for 1-azido-3-methylpentan-2-ol?
The canonical SMILES for 1-azido-3-methylpentan-2-ol is CCC(C)C(O)CN=[N+]=[N-].
What is the InChIKey of 1-azido-3-methylpentan-2-ol?
The InChIKey is DJWASGIXQNXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-3-5(2)6(10)4-8-9-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-azido-3-methylpentan-2-ol?
1-azido-3-methylpentan-2-ol has a molecular weight of 143.19 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-methylpentan-2-ol is sourced from PubChem (CID 116691796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).