1-azidobutane

C4H9N3 — CID 4563922

IUPAC1-azidobutane
SMILESCCCCN=[N+]=[N-]
InChIInChI=1S/C4H9N3/c1-2-3-4-6-7-5/h2-4H2,1H3
InChIKeyQZOJRSAENHTURL-UHFFFAOYSA-N
MW99.14 g/mol
LogP2.10
Rot. Bonds3

About 1-azidobutane

1-azidobutane (PubChem CID 4563922) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1-azidobutane.

Molecular Properties

Compound Name1-azidobutane
PubChem CID4563922
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1-azidobutane
SMILESCCCCN=[N+]=[N-]
InChIInChI=1S/C4H9N3/c1-2-3-4-6-7-5/h2-4H2,1H3
InChIKeyQZOJRSAENHTURL-UHFFFAOYSA-N
XLogP2.10
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 52.10
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

1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
1-azidooctane;hydrochloride
CID 175871639
4-azido-N-butylbutan-1-amine;hydrochloride
CID 25112450
1,14-diazidotetradecane
CID 146463967
1-azidobutane;N-ethylnitramide
CID 175078003
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
1-azido-3-propylsulfinylpropane
CID 61396915
15-azidopentadecanoyl hexadecanoate
CID 123227762
1,4-diazidopentane
CID 10820774
CID 137158045
CID 137158045
1-azido-4-methylpentane
CID 58070777

Frequently Asked Questions

What is the IUPAC name of 1-azidobutane?
The IUPAC name of 1-azidobutane (CID 4563922) is 1-azidobutane.
What is the SMILES notation for 1-azidobutane?
The canonical SMILES for 1-azidobutane is CCCCN=[N+]=[N-].
What is the InChIKey of 1-azidobutane?
The InChIKey is QZOJRSAENHTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-2-3-4-6-7-5/h2-4H2,1H3.
What are the key properties of 1-azidobutane?
1-azidobutane has a molecular weight of 99.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidobutane is sourced from PubChem (CID 4563922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).