7-butylundec-6-en-5-ylazanium chloride

C15H32ClN — CID 87723846

IUPAC7-butylundec-6-en-5-ylazanium chloride
SMILESCCCCC(=CC([NH3+])CCCC)CCCC.[Cl-]
InChIInChI=1S/C15H31N.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H
InChIKeyCUKSSUMHKRDMJC-UHFFFAOYSA-N
MW261.88 g/mol
LogP1.10
Rot. Bonds10

About 7-butylundec-6-en-5-ylazanium chloride

7-butylundec-6-en-5-ylazanium chloride (PubChem CID 87723846) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is 7-butylundec-6-en-5-ylazanium chloride.

Molecular Properties

Compound Name7-butylundec-6-en-5-ylazanium chloride
PubChem CID87723846
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Name7-butylundec-6-en-5-ylazanium chloride
SMILESCCCCC(=CC([NH3+])CCCC)CCCC.[Cl-]
InChIInChI=1S/C15H31N.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H
InChIKeyCUKSSUMHKRDMJC-UHFFFAOYSA-N
XLogP1.10
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-butylundec-6-en-5-ylphosphane;hydrochloride
CID 173009520
(3E)-3-ethylideneheptan-1-ol
CID 134993443
(E)-5-hydroxy-3-methylnon-3-en-2-one
CID 87291141
5-butyldec-5-ene
CID 15367252
N-octan-4-ylpentanamide
CID 91803774
6-ethyl-2-methyldec-5-ene
CID 123276587
[(2S,3R)-3-hydroxyicosan-2-yl]azanium chloride
CID 158390492
dibutyl(didecyl)phosphanium chloride
CID 87777295
7-ethyl-5-propan-2-ylundeca-1,6-diene
CID 173295898
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
butyl-diethyl-hexylphosphanium
CID 87509146
hexan-2-ol;pentan-2-ol
CID 88680973

Frequently Asked Questions

What is the IUPAC name of 7-butylundec-6-en-5-ylazanium chloride?
The IUPAC name of 7-butylundec-6-en-5-ylazanium chloride (CID 87723846) is 7-butylundec-6-en-5-ylazanium chloride.
What is the SMILES notation for 7-butylundec-6-en-5-ylazanium chloride?
The canonical SMILES for 7-butylundec-6-en-5-ylazanium chloride is CCCCC(=CC([NH3+])CCCC)CCCC.[Cl-].
What is the InChIKey of 7-butylundec-6-en-5-ylazanium chloride?
The InChIKey is CUKSSUMHKRDMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.ClH/c1-4-7-10-14(11-8-5-2)13-15(16)12-9-6-3;/h13,15H,4-12,16H2,1-3H3;1H.
What are the key properties of 7-butylundec-6-en-5-ylazanium chloride?
7-butylundec-6-en-5-ylazanium chloride has a molecular weight of 261.88 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butylundec-6-en-5-ylazanium chloride is sourced from PubChem (CID 87723846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).