[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride

C11H24ClN — CID 6434666

IUPAC[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride
SMILESCC/C=C/C([NH3+])(CCC)C(C)C.[Cl-]
InChIInChI=1S/C11H23N.ClH/c1-5-7-9-11(12,8-6-2)10(3)4;/h7,9-10H,5-6,8,12H2,1-4H3;1H/b9-7+;
InChIKeyQZTABKKPWJAMNZ-BXTVWIJMSA-N
MW205.77 g/mol
LogP-0.61
Rot. Bonds5

About [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride

[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride (PubChem CID 6434666) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride.

Molecular Properties

Compound Name[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride
PubChem CID6434666
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride
SMILESCC/C=C/C([NH3+])(CCC)C(C)C.[Cl-]
InChIInChI=1S/C11H23N.ClH/c1-5-7-9-11(12,8-6-2)10(3)4;/h7,9-10H,5-6,8,12H2,1-4H3;1H/b9-7+;
InChIKeyQZTABKKPWJAMNZ-BXTVWIJMSA-N
XLogP-0.61
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 5-0.61
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

[(E)-3-ethylhept-4-en-3-yl]azanium chloride
CID 6434664
(2-methyl-3-propan-2-ylhept-4-en-3-yl)phosphane
CID 118536191
(Z)-5-(2-fluoroethyl)-5,6-dimethylhept-3-ene
CID 167049947
(E)-2,2-dimethylhex-3-ene
CID 5357261
(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
2-but-1-enyl-2,4-dimethyl-4-propylpentane-1,3,5-triol
CID 123536516
2,2-di(propan-2-yl)pentanal
CID 90416736
pent-2-ene-1,1,1-triamine
CID 91102245
(Z)-hex-3-ene;methylazanium
CID 158917607
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
(E)-4-propylnon-6-en-4-ol
CID 173242114

Frequently Asked Questions

What is the IUPAC name of [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride?
The IUPAC name of [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride (CID 6434666) is [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride.
What is the SMILES notation for [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride?
The canonical SMILES for [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride is CC/C=C/C([NH3+])(CCC)C(C)C.[Cl-].
What is the InChIKey of [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride?
The InChIKey is QZTABKKPWJAMNZ-BXTVWIJMSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-5-7-9-11(12,8-6-2)10(3)4;/h7,9-10H,5-6,8,12H2,1-4H3;1H/b9-7+;.
What are the key properties of [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride?
[(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride has a molecular weight of 205.77 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-propan-2-yloct-5-en-4-yl]azanium chloride is sourced from PubChem (CID 6434666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).