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

C14H28ClN — CID 10354528

IUPAC[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride
SMILESCCC/C=C/C/[N+](=C\C(C)C)CC(C)C.[Cl-]
InChIInChI=1S/C14H28N.ClH/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;1H/q+1;/p-1/b9-8+,15-11+;
InChIKeyKJFBJFUHCSJCJI-FZCBSAJESA-M
MW245.84 g/mol
LogP0.74
Rot. Bonds7

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

[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride (PubChem CID 10354528) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride
PubChem CID10354528
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC Name[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride
SMILESCCC/C=C/C/[N+](=C\C(C)C)CC(C)C.[Cl-]
InChIInChI=1S/C14H28N.ClH/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;1H/q+1;/p-1/b9-8+,15-11+;
InChIKeyKJFBJFUHCSJCJI-FZCBSAJESA-M
XLogP0.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 50.74
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
1,3,7-Trimethyl-1-azoniacycloundeca-4,8,11-triene
CID 123271073
(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
(Z)-N-(3-ethyliminopropyl)-N-propan-2-ylhept-2-en-1-amine
CID 169846515
(Z)-N-[(Z)-but-2-enyl]-2-methylpent-3-en-1-imine
CID 174004015
N-[(Z)-hex-2-enyl]-2-methylbutan-1-imine
CID 175637051
N-[(E)-hex-2-enyl]-2-methylpropan-1-imine
CID 10012115

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride?
The IUPAC name of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride (CID 10354528) is [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride.
What is the SMILES notation for [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride?
The canonical SMILES for [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride is CCC/C=C/C/[N+](=C\C(C)C)CC(C)C.[Cl-].
What is the InChIKey of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride?
The InChIKey is KJFBJFUHCSJCJI-FZCBSAJESA-M. The full InChI is InChI=1S/C14H28N.ClH/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;1H/q+1;/p-1/b9-8+,15-11+;.
What are the key properties of [(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride?
[(E)-hex-2-enyl]-(2-methylpropyl)-(2-methylpropylidene)azanium chloride has a molecular weight of 245.84 g/mol, XLogP of 0.74, 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 chloride is sourced from PubChem (CID 10354528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).