cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium

C21H38N+ — CID 123619427

IUPACcyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium
SMILESCCCC/C=[N+](/C=C1CCC1)C(CC)CC(CCC)=C(C)C
InChIInChI=1S/C21H38N/c1-6-9-10-15-22(17-19-13-11-14-19)21(8-3)16-20(12-7-2)18(4)5/h15,17,21H,6-14,16H2,1-5H3/q+1/b22-15-
InChIKeyWEWKRJQDABQEQL-JCMHNJIXSA-N
MW304.54 g/mol
LogP6.63
Rot. Bonds10

About cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium

cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium (PubChem CID 123619427) has the molecular formula C21H38N+ and a molecular weight of 304.54 g/mol. Its IUPAC name is cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium.

Molecular Properties

Compound Namecyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium
PubChem CID123619427
Molecular FormulaC21H38N+
Molecular Weight304.54 g/mol
Exact Mass304.30
IUPAC Namecyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium
SMILESCCCC/C=[N+](/C=C1CCC1)C(CC)CC(CCC)=C(C)C
InChIInChI=1S/C21H38N/c1-6-9-10-15-22(17-19-13-11-14-19)21(8-3)16-20(12-7-2)18(4)5/h15,17,21H,6-14,16H2,1-5H3/q+1/b22-15-
InChIKeyWEWKRJQDABQEQL-JCMHNJIXSA-N
XLogP6.63
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.54
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methylhex-2-enylidenecyclobutane
CID 123804515
2-ethylhexylidenecyclopentane
CID 173229264
hexylidenecyclobutane
CID 86127710
pentylidenecyclopentadecane
CID 151655236
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
3-methyl-4-propan-2-yl-6-propan-2-ylidenedecane
CID 123339750
1-cyclohexylidenetetradecan-2-one
CID 103457909
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
dimethyl(pentylidene)azanium
CID 23064047
3-methylheptan-2-ylidenecyclobutane
CID 123717817
methyl-pentylidene-prop-1-en-2-ylazanium
CID 123560999

Frequently Asked Questions

What is the IUPAC name of cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium?
The IUPAC name of cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium (CID 123619427) is cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium.
What is the SMILES notation for cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium?
The canonical SMILES for cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium is CCCC/C=[N+](/C=C1CCC1)C(CC)CC(CCC)=C(C)C.
What is the InChIKey of cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium?
The InChIKey is WEWKRJQDABQEQL-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H38N/c1-6-9-10-15-22(17-19-13-11-14-19)21(8-3)16-20(12-7-2)18(4)5/h15,17,21H,6-14,16H2,1-5H3/q+1/b22-15-.
What are the key properties of cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium?
cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium has a molecular weight of 304.54 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylidenemethyl-pentylidene-(5-propan-2-ylideneoctan-3-yl)azanium is sourced from PubChem (CID 123619427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).