ethyl-dimethyl-(3-methylideneoctyl)azanium

C13H28N+ — CID 123645471

IUPACethyl-dimethyl-(3-methylideneoctyl)azanium
SMILESC=C(CCCCC)CC[N+](C)(C)CC
InChIInChI=1S/C13H28N/c1-6-8-9-10-13(3)11-12-14(4,5)7-2/h3,6-12H2,1-2,4-5H3/q+1
InChIKeyDPZAHJPKNQYTDN-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.61
Rot. Bonds8

About ethyl-dimethyl-(3-methylideneoctyl)azanium

ethyl-dimethyl-(3-methylideneoctyl)azanium (PubChem CID 123645471) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is ethyl-dimethyl-(3-methylideneoctyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(3-methylideneoctyl)azanium
PubChem CID123645471
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Nameethyl-dimethyl-(3-methylideneoctyl)azanium
SMILESC=C(CCCCC)CC[N+](C)(C)CC
InChIInChI=1S/C13H28N/c1-6-8-9-10-13(3)11-12-14(4,5)7-2/h3,6-12H2,1-2,4-5H3/q+1
InChIKeyDPZAHJPKNQYTDN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-10-undecen-1-amine
CID 6420901
Triethyl(undec-10-enyl)azanium
CID 11551730
1-Methyl-5-methyleneoctahydroazocine
CID 145354
n,n-Diethylundec-10-en-1-amine
CID 237835
N,N-dimethyldec-9-en-1-amine
CID 16641202
N,N-dimethylnon-8-en-1-amine
CID 17825143
N,N-diethyloct-7-en-1-amine
CID 17825148
N-ethyl-5-methanidylidene-4-methylidene-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 91177310
N,N-dibutylundec-10-en-1-amine
CID 118629062
2-[2-(N,N-diethylamino)ethyl]-6-methyl-1,5-heptadiene
CID 129777816
1-Isocyano-4-methylideneoctane
CID 134856170
copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine
CID 134980587

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(3-methylideneoctyl)azanium?
The IUPAC name of ethyl-dimethyl-(3-methylideneoctyl)azanium (CID 123645471) is ethyl-dimethyl-(3-methylideneoctyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(3-methylideneoctyl)azanium?
The canonical SMILES for ethyl-dimethyl-(3-methylideneoctyl)azanium is C=C(CCCCC)CC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(3-methylideneoctyl)azanium?
The InChIKey is DPZAHJPKNQYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-6-8-9-10-13(3)11-12-14(4,5)7-2/h3,6-12H2,1-2,4-5H3/q+1.
What are the key properties of ethyl-dimethyl-(3-methylideneoctyl)azanium?
ethyl-dimethyl-(3-methylideneoctyl)azanium has a molecular weight of 198.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3-methylideneoctyl)azanium is sourced from PubChem (CID 123645471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).