ethyl-methylidene-pent-2-enylazanium

C8H16N+ — CID 123154431

IUPACethyl-methylidene-pent-2-enylazanium
SMILESC=[N+](CC)CC=CCC
InChIInChI=1S/C8H16N/c1-4-6-7-8-9(3)5-2/h6-7H,3-5,8H2,1-2H3/q+1
InChIKeySKSYAEXGFJBXOR-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.69
Rot. Bonds4

About ethyl-methylidene-pent-2-enylazanium

ethyl-methylidene-pent-2-enylazanium (PubChem CID 123154431) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is ethyl-methylidene-pent-2-enylazanium.

Molecular Properties

Compound Nameethyl-methylidene-pent-2-enylazanium
PubChem CID123154431
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Nameethyl-methylidene-pent-2-enylazanium
SMILESC=[N+](CC)CC=CCC
InChIInChI=1S/C8H16N/c1-4-6-7-8-9(3)5-2/h6-7H,3-5,8H2,1-2H3/q+1
InChIKeySKSYAEXGFJBXOR-UHFFFAOYSA-N
XLogP1.69
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

Diethyl-2,7-octadienylamine
CID 547134
(2E)-N,N-Diethyl-2,7-octadien-1-amine
CID 5365246
N,N-Diethyl-trans-2-penteneamine
CID 5365212
2-Penten-1-amine, N,N-diethyl-, (Z)-
CID 5365213
(2z)-N,N-diethylhept-2-en-1-amine
CID 124674535
(2e)-N,N-diethylhept-2-en-1-amine
CID 129745451
1-methyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-1-ium
CID 3056867
N,N-diethylpent-2-en-1-amine
CID 546896
(E)-N,N-diethyl-4,4-dimethylpent-2-en-1-amine
CID 12384713
(Z)-N,N-diethylpent-3-en-1-amine
CID 12610270
(E)-N,N-diethylpent-3-en-2-amine
CID 13003598
(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine
CID 18737040

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-pent-2-enylazanium?
The IUPAC name of ethyl-methylidene-pent-2-enylazanium (CID 123154431) is ethyl-methylidene-pent-2-enylazanium.
What is the SMILES notation for ethyl-methylidene-pent-2-enylazanium?
The canonical SMILES for ethyl-methylidene-pent-2-enylazanium is C=[N+](CC)CC=CCC.
What is the InChIKey of ethyl-methylidene-pent-2-enylazanium?
The InChIKey is SKSYAEXGFJBXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-4-6-7-8-9(3)5-2/h6-7H,3-5,8H2,1-2H3/q+1.
What are the key properties of ethyl-methylidene-pent-2-enylazanium?
ethyl-methylidene-pent-2-enylazanium has a molecular weight of 126.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-pent-2-enylazanium is sourced from PubChem (CID 123154431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).