dimethyl(pentylidene)azanium

C7H16N+ — CID 23064047

IUPACdimethyl(pentylidene)azanium
SMILESCCCCC=[N+](C)C
InChIInChI=1S/C7H16N/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/q+1
InChIKeyFSCMCEWCIBNACG-UHFFFAOYSA-N
MW114.21 g/mol
LogP1.52
Rot. Bonds3

About dimethyl(pentylidene)azanium

dimethyl(pentylidene)azanium (PubChem CID 23064047) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is dimethyl(pentylidene)azanium.

Molecular Properties

Compound Namedimethyl(pentylidene)azanium
PubChem CID23064047
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namedimethyl(pentylidene)azanium
SMILESCCCCC=[N+](C)C
InChIInChI=1S/C7H16N/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/q+1
InChIKeyFSCMCEWCIBNACG-UHFFFAOYSA-N
XLogP1.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 51.52
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl-pentylidene-prop-1-en-2-ylazanium
CID 123560999
hept-2-enylidene(dimethyl)azanium
CID 123455179
CID 57418783
CID 57418783
dimethyl(propylidene)azanium;propane
CID 174533960
dec-5-ene;trihydrobromide
CID 175802238
pentylidenemagnesium
CID 141304253
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
N-hexadecyloctadecan-1-imine oxide
CID 85061189
N-octyloctadecan-1-imine oxide
CID 139612531
N-pentadecylnonadecan-1-imine oxide
CID 87184574
CID 102464486
CID 102464486
hex-1-ene;zinc
CID 174554611

Frequently Asked Questions

What is the IUPAC name of dimethyl(pentylidene)azanium?
The IUPAC name of dimethyl(pentylidene)azanium (CID 23064047) is dimethyl(pentylidene)azanium.
What is the SMILES notation for dimethyl(pentylidene)azanium?
The canonical SMILES for dimethyl(pentylidene)azanium is CCCCC=[N+](C)C.
What is the InChIKey of dimethyl(pentylidene)azanium?
The InChIKey is FSCMCEWCIBNACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/q+1.
What are the key properties of dimethyl(pentylidene)azanium?
dimethyl(pentylidene)azanium has a molecular weight of 114.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(pentylidene)azanium is sourced from PubChem (CID 23064047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).