[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium

C14H28N+ — CID 10354529

IUPAC[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium
SMILESCCC/C=C/C/[N+](=C\C(C)C)CC(C)C
InChIInChI=1S/C14H28N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3/q+1/b9-8+,15-11+
InChIKeyPPUPSXRKTNRACG-QCTDOKRBSA-N
MW210.38 g/mol
LogP3.74
Rot. Bonds7

About [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium

[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium (PubChem CID 10354529) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium
PubChem CID10354529
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium
SMILESCCC/C=C/C/[N+](=C\C(C)C)CC(C)C
InChIInChI=1S/C14H28N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3/q+1/b9-8+,15-11+
InChIKeyPPUPSXRKTNRACG-QCTDOKRBSA-N
XLogP3.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 53.74
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

(10aR)-10a-methyl-3,4,7,10-tetrahydropyrido[1,2-a]azepin-5-ium
CID 58850616
Hex-4-enylidene-methyl-propylazanium
CID 90967761
Ethyl-methyl-(2-methyl-6-methylideneocta-4,7-dienylidene)azanium
CID 123231309
1,3,7-Trimethyl-1-azoniacycloundeca-4,8,11-triene
CID 123271073
1-Ethyl-3-methyl-2,3-dihydropyridin-1-ium
CID 123494527
(Z)-2-methyl-N-(2-methylpropyl)hept-3-en-1-imine
CID 141934673
(E)-N-butyl-N-methyl-5-(propylideneamino)pent-2-en-1-amine
CID 142257769
ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene
CID 143703286
1-Tert-butyl-2,5-dihydropyridin-1-ium
CID 144336524
(E)-2-ethyl-N,N-dimethyl-5-(propylideneamino)pent-3-en-1-amine
CID 154973458
(E)-N,2-dimethylhept-4-en-1-imine
CID 155029102
1-(2-methylpropyl)-3,4-bis[(Z)-prop-1-enyl]-2H-pyrrol-1-ium
CID 155179301

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium?
The IUPAC name of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium (CID 10354529) is [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium.
What is the SMILES notation for [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium?
The canonical SMILES for [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium is CCC/C=C/C/[N+](=C\C(C)C)CC(C)C.
What is the InChIKey of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium?
The InChIKey is PPUPSXRKTNRACG-QCTDOKRBSA-N. The full InChI is InChI=1S/C14H28N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,13-14H,6-7,10,12H2,1-5H3/q+1/b9-8+,15-11+.
What are the key properties of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium?
[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium has a molecular weight of 210.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium is sourced from PubChem (CID 10354529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).