1-(4-azidobutyl)-1-methylcyclopentane

C10H19N3 — CID 23383994

IUPAC1-(4-azidobutyl)-1-methylcyclopentane
SMILESCC1(CCCCN=[N+]=[N-])CCCC1
InChIInChI=1S/C10H19N3/c1-10(6-2-3-7-10)8-4-5-9-12-13-11/h2-9H2,1H3
InChIKeyMUGSCAWLOBEZBJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-azidobutyl)-1-methylcyclopentane

1-(4-azidobutyl)-1-methylcyclopentane (PubChem CID 23383994) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(4-azidobutyl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-(4-azidobutyl)-1-methylcyclopentane
PubChem CID23383994
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(4-azidobutyl)-1-methylcyclopentane
SMILESCC1(CCCCN=[N+]=[N-])CCCC1
InChIInChI=1S/C10H19N3/c1-10(6-2-3-7-10)8-4-5-9-12-13-11/h2-9H2,1H3
InChIKeyMUGSCAWLOBEZBJ-UHFFFAOYSA-N
XLogP4.05
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-azidobutyl)-1-methylcyclopentane?
The IUPAC name of 1-(4-azidobutyl)-1-methylcyclopentane (CID 23383994) is 1-(4-azidobutyl)-1-methylcyclopentane.
What is the SMILES notation for 1-(4-azidobutyl)-1-methylcyclopentane?
The canonical SMILES for 1-(4-azidobutyl)-1-methylcyclopentane is CC1(CCCCN=[N+]=[N-])CCCC1.
What is the InChIKey of 1-(4-azidobutyl)-1-methylcyclopentane?
The InChIKey is MUGSCAWLOBEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(6-2-3-7-10)8-4-5-9-12-13-11/h2-9H2,1H3.
What are the key properties of 1-(4-azidobutyl)-1-methylcyclopentane?
1-(4-azidobutyl)-1-methylcyclopentane has a molecular weight of 181.28 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidobutyl)-1-methylcyclopentane is sourced from PubChem (CID 23383994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).