4-(4-azidobutoxy)butan-1-amine

C8H18N4O — CID 151331524

IUPAC4-(4-azidobutoxy)butan-1-amine
SMILES[N-]=[N+]=NCCCCOCCCCN
InChIInChI=1S/C8H18N4O/c9-5-1-3-7-13-8-4-2-6-11-12-10/h1-9H2
InChIKeyOIOCVBQUVDVMGD-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.83
Rot. Bonds9

About 4-(4-azidobutoxy)butan-1-amine

4-(4-azidobutoxy)butan-1-amine (PubChem CID 151331524) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(4-azidobutoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-azidobutoxy)butan-1-amine
PubChem CID151331524
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name4-(4-azidobutoxy)butan-1-amine
SMILES[N-]=[N+]=NCCCCOCCCCN
InChIInChI=1S/C8H18N4O/c9-5-1-3-7-13-8-4-2-6-11-12-10/h1-9H2
InChIKeyOIOCVBQUVDVMGD-UHFFFAOYSA-N
XLogP1.83
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

9-azidononan-1-amine
CID 122424851
2-[3-(3-azidopropoxy)propoxy]ethanamine
CID 168833008
1,5-bis(2-azidoethoxy)pentane
CID 130260836
1-azido-3-(2-azidoethoxy)propane
CID 161084189
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
5-[3-[2-(2-azidoethoxy)ethoxy]propylsulfonyl]pentan-1-amine
CID 163659064
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
CID 102452687
3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
CID 59378910
1-azido-11-prop-2-ynoxyundecane
CID 102411227

Frequently Asked Questions

What is the IUPAC name of 4-(4-azidobutoxy)butan-1-amine?
The IUPAC name of 4-(4-azidobutoxy)butan-1-amine (CID 151331524) is 4-(4-azidobutoxy)butan-1-amine.
What is the SMILES notation for 4-(4-azidobutoxy)butan-1-amine?
The canonical SMILES for 4-(4-azidobutoxy)butan-1-amine is [N-]=[N+]=NCCCCOCCCCN.
What is the InChIKey of 4-(4-azidobutoxy)butan-1-amine?
The InChIKey is OIOCVBQUVDVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-5-1-3-7-13-8-4-2-6-11-12-10/h1-9H2.
What are the key properties of 4-(4-azidobutoxy)butan-1-amine?
4-(4-azidobutoxy)butan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azidobutoxy)butan-1-amine is sourced from PubChem (CID 151331524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).