(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium

C15H28N+ — CID 123464092

IUPAC(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium
SMILESC=C(CC(CC)(CC)C(C)=CC)/[N+](C)=C/C
InChIInChI=1S/C15H28N/c1-8-13(5)15(9-2,10-3)12-14(6)16(7)11-4/h8,11H,6,9-10,12H2,1-5,7H3/q+1/b13-8?,16-11+
InChIKeyGDERGUSRAGIIID-DKHOSTQVSA-N
MW222.40 g/mol
LogP4.40
Rot. Bonds6

About (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium

(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium (PubChem CID 123464092) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium.

Molecular Properties

Compound Name(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium
PubChem CID123464092
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium
SMILESC=C(CC(CC)(CC)C(C)=CC)/[N+](C)=C/C
InChIInChI=1S/C15H28N/c1-8-13(5)15(9-2,10-3)12-14(6)16(7)11-4/h8,11H,6,9-10,12H2,1-5,7H3/q+1/b13-8?,16-11+
InChIKeyGDERGUSRAGIIID-DKHOSTQVSA-N
XLogP4.40
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 54.40
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

4-Ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
CID 123723166
N-[(Z)-5,5-dimethylhex-2-en-3-yl]ethanimine
CID 134456909
(5Z)-5-(ethylideneamino)-N,N,2-trimethylhepta-1,5-dien-3-amine
CID 138567456
N-(5-ethyl-4,5-dimethylcyclopenta-1,3-dien-1-yl)ethanimine
CID 144387335
5-(2,2,3-trimethylbut-3-enyl)-3H-pyrrole
CID 159522187

Frequently Asked Questions

What is the IUPAC name of (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium?
The IUPAC name of (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium (CID 123464092) is (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium.
What is the SMILES notation for (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium?
The canonical SMILES for (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium is C=C(CC(CC)(CC)C(C)=CC)/[N+](C)=C/C.
What is the InChIKey of (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium?
The InChIKey is GDERGUSRAGIIID-DKHOSTQVSA-N. The full InChI is InChI=1S/C15H28N/c1-8-13(5)15(9-2,10-3)12-14(6)16(7)11-4/h8,11H,6,9-10,12H2,1-5,7H3/q+1/b13-8?,16-11+.
What are the key properties of (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium?
(4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium has a molecular weight of 222.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethyl-5-methylhepta-1,5-dien-2-yl)-ethylidene-methylazanium is sourced from PubChem (CID 123464092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).