(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium

C15H26N+ — CID 123849884

IUPAC(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
SMILESCC=CC(C)=C(CC)C(=CC)/[N+](C)=C/CC
InChIInChI=1S/C15H26N/c1-7-11-13(5)14(9-3)15(10-4)16(6)12-8-2/h7,10-12H,8-9H2,1-6H3/q+1/b11-7?,14-13?,15-10?,16-12+
InChIKeyHTMKVOHHJZXFTB-YLLUBVNZSA-N
MW220.38 g/mol
LogP4.32
Rot. Bonds5

About (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium

(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium (PubChem CID 123849884) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium.

Molecular Properties

Compound Name(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
PubChem CID123849884
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Name(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
SMILESCC=CC(C)=C(CC)C(=CC)/[N+](C)=C/CC
InChIInChI=1S/C15H26N/c1-7-11-13(5)14(9-3)15(10-4)16(6)12-8-2/h7,10-12H,8-9H2,1-6H3/q+1/b11-7?,14-13?,15-10?,16-12+
InChIKeyHTMKVOHHJZXFTB-YLLUBVNZSA-N
XLogP4.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
6-Cyclopenta-1,3-dien-1-yl-3,4-dihydropyridine
CID 91482385
8-Dimethylamino-5-methyl-3,5,7-nonatrienylidenedimethylammonium iodide
CID 129808885
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
12-Methyl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1(15),2,4,6,8,10-hexaene
CID 57306056
5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
CID 68300548
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
N-[(2Z,4E)-4-ethylhexa-2,4-dien-3-yl]propan-1-imine
CID 89881302
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
CID 90880500
N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
CID 90909232
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
CID 91116659

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium?
The IUPAC name of (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium (CID 123849884) is (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium.
What is the SMILES notation for (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium?
The canonical SMILES for (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium is CC=CC(C)=C(CC)C(=CC)/[N+](C)=C/CC.
What is the InChIKey of (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium?
The InChIKey is HTMKVOHHJZXFTB-YLLUBVNZSA-N. The full InChI is InChI=1S/C15H26N/c1-7-11-13(5)14(9-3)15(10-4)16(6)12-8-2/h7,10-12H,8-9H2,1-6H3/q+1/b11-7?,14-13?,15-10?,16-12+.
What are the key properties of (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium?
(4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium has a molecular weight of 220.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium is sourced from PubChem (CID 123849884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).