azane;5-butyl-5-chlorodecane

C14H32ClN — CID 88839636

IUPACazane;5-butyl-5-chlorodecane
SMILESCCCCCC(Cl)(CCCC)CCCC.N
InChIInChI=1S/C14H29Cl.H3N/c1-4-7-10-13-14(15,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H3
InChIKeySFNPWDJWICLZRM-UHFFFAOYSA-N
MW249.87 g/mol
LogP6.09
Rot. Bonds10

About azane;5-butyl-5-chlorodecane

azane;5-butyl-5-chlorodecane (PubChem CID 88839636) has the molecular formula C14H32ClN and a molecular weight of 249.87 g/mol. Its IUPAC name is azane;5-butyl-5-chlorodecane.

Molecular Properties

Compound Nameazane;5-butyl-5-chlorodecane
PubChem CID88839636
Molecular FormulaC14H32ClN
Molecular Weight249.87 g/mol
Exact Mass249.22
IUPAC Nameazane;5-butyl-5-chlorodecane
SMILESCCCCCC(Cl)(CCCC)CCCC.N
InChIInChI=1S/C14H29Cl.H3N/c1-4-7-10-13-14(15,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H3
InChIKeySFNPWDJWICLZRM-UHFFFAOYSA-N
XLogP6.09
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.87
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;5-butyl-5-chlorodecane?
The IUPAC name of azane;5-butyl-5-chlorodecane (CID 88839636) is azane;5-butyl-5-chlorodecane.
What is the SMILES notation for azane;5-butyl-5-chlorodecane?
The canonical SMILES for azane;5-butyl-5-chlorodecane is CCCCCC(Cl)(CCCC)CCCC.N.
What is the InChIKey of azane;5-butyl-5-chlorodecane?
The InChIKey is SFNPWDJWICLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl.H3N/c1-4-7-10-13-14(15,11-8-5-2)12-9-6-3;/h4-13H2,1-3H3;1H3.
What are the key properties of azane;5-butyl-5-chlorodecane?
azane;5-butyl-5-chlorodecane has a molecular weight of 249.87 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-butyl-5-chlorodecane is sourced from PubChem (CID 88839636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).